C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Toetra ara-batana fototra | sarobidy | toe-javatra |
Lanja molekiola | 397.43 | - |
Teboka mangotraka (voavinavina) | 671,5±55,0 °C | Press: 760 Torr |
Density (voavinavina) | 1,316±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr |
pKa (voavinavina) | 3.84±0.21 | Mafana asidra indrindra: 25 °C |
SMILES Canonical O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N
SMILES Isomerik C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2
InChI
InChI=1S/C21H23N3O5/c22-20(27)23-11-5-10-18(19(25)26)24-21(28)29-12-17-15-8-3-1-6- 13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H, 5,10-12H2,(H,24,28)(H,25, 26)(H3,22,23,27)/t18-/m0/s1
InChI Key
NBMSMZSRTIOFOK-SFHVURJKSA-N
6 Anarana hafa ho an'ity akora ity
N5-(Aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-ornithine (ACI); (2S)-5-(Carbamoylamino)-2-(9H-fluoren-9-ylmethox ycarbonylamino)asidra pentanoika; (2S)-5-(Carbamoylamino)-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)asid pentanoika; 218: PN: U S20070042401 PEJY: 29 milaza proteinina; 909: PN: WO2006135786 PEJY: 59 milaza proteinina; Fmoc-L-Citrulline
Spectra misy
1H NMR
13C NMR
-bahoaka
Properties misy |
niteraka |
simika |
hakitroky |
Lipinski |
Structure Related |
mafana |
niteraka
NY FANANANA | sarobidy | toe-javatra | Source |
Bioconcentration Factor | 54.3 | pH 1; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 52.8 | pH 2; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 40.0 | pH 3; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 11.7 | pH 4; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.45 | pH 5; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 6; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 7; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 8; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 9; Mafana: 25 °C | (1) ACD |
Bioconcentration Factor | 1.0 | pH 10; Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
simika
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 606 | pH 1; Mafana: 25 °C | (1) ACD |
Koc | 589 | pH 2; Mafana: 25 °C | (1) ACD |
Koc | 446 | pH 3; Mafana: 25 °C | (1) ACD |
Koc | 130 | pH 4; Mafana: 25 °C | (1) ACD |
Koc | 16.2 | pH 5; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Koc | 1.76 | pH 6; Mafana: 25 °C | (1) ACD |
Koc | 1.0 | pH 7; Mafana: 25 °C | (1) ACD |
Koc | 1.0 | pH 8; Mafana: 25 °C | (1) ACD |
Koc | 1.0 | pH 9; Mafana: 25 °C | (1) ACD |
Koc | 1.0 | pH 10; Mafana: 25 °C | (1) ACD |
logD | 2.59 | pH 1; Mafana: 25 °C | (1) ACD |
logD | 2.57 | pH 2; Mafana: 25 °C | (1) ACD |
logD | 2.45 | pH 3; Mafana: 25 °C | (1) ACD |
logD | 1.92 | pH 4; Mafana: 25 °C | (1) ACD |
logD | 1.01 | pH 5; Mafana: 25 °C | (1) ACD |
logD | 0.05 | pH 6; Mafana: 25 °C | (1) ACD |
logD | -0.76 | pH 7; Mafana: 25 °C | (1) ACD |
logD | -1.10 | pH 8; Mafana: 25 °C | (1) ACD |
logD | -1.15 | pH 9; Mafana: 25 °C | (1) ACD |
logD | -1.16 | pH 10; Mafana: 25 °C | (1) ACD |
logP | 2,591±0,426 | Mafana: 25 °C | (1) ACD |
Faobe Intrinsic Solubility | 4,8 x 10-3 g/L | Mafana: 25 °C | (1) ACD |
Mass Solubility | 4,8 x 10-3 g/L | pH 1; Mafana: 25 °C | (1) ACD |
Mass Solubility | 5,2 x 10-3 g/L | pH 2; Mafana: 25 °C | (1) ACD |
Mass Solubility | 6,8 x 10-3 g/L | pH 3; Mafana: 25 °C | (1) ACD |
Mass Solubility | 0,023 g/L | pH 4; Mafana: 25 °C | (1) ACD |
Mass Solubility | 0,18 g/L | pH 5; Mafana: 25 °C | (1) ACD |
Mass Solubility | 1,7 g/L | pH 6; Mafana: 25 °C | (1) ACD |
Mass Solubility | 11 g/L | pH 7; Mafana: 25 °C | (1) ACD |
Mass Solubility | 23 g/L | pH 8; Mafana: 25 °C | (1) ACD |
Mass Solubility | 27 g/L | pH 9; Mafana: 25 °C | (1) ACD |
Mass Solubility | 27 g/L | pH 10; Mafana: 25 °C | (1) ACD |
Mass Solubility | 0,032 g/L | Rano tsy voatsindrona pH 4.18; Mafana: 25 °C | (1) ACD |
Molar intrinsic solubility | 1,2 x 10-5 mol/L | Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,2 x 10-5 mol/L | pH 1; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,3 x 10-5 mol/L | pH 2; Mafana: 25 °C | (1) ACD |
Molar Solubility | 1,7 x 10-5 mol/L | pH 3; Mafana: 25 °C | (1) ACD |
NY FANANANA | sarobidy | toe-javatra | Source |
Molar Solubility | 5,7 x 10-5 mol/L | pH 4; Mafana: 25 °C | (1) ACD |
Molar Solubility | 4,6 x 10-4 mol/L | pH 5; Mafana: 25 °C | (1) ACD |
Molar Solubility | 4,2 x 10-3 mol/L | pH 6; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,027 mol/L | pH 7; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,059 mol/L | pH 8; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,067 mol/L | pH 9; Mafana: 25 °C | (1) ACD |
Molar Solubility | 0,068 mol/L | pH 10; Mafana: 25 °C | (1) ACD |
Molar Solubility | 8,0 x 10-5 mol/L | Rano tsy voatsindrona pH 4.18; Mafana: 25 °C | (1) ACD |
Lanja molekiola | 397.43 | ||
pKa | 3.84±0.21 | Mafana asidra indrindra: 25 °C | (1) ACD |
pKa | -0,21±0,70 | Ny mari-pana fototra indrindra: 25 °C | (1) ACD |
Fanerena ny etona | 6.01 x 10-19 Torr | Mafana: 25 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
hakitroky
NY FANANANA | sarobidy | toe-javatra | Source |
hakitroky | 1,316±0,06 g/cm3 | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
Boky molar | 301.8±3.0 cm3/mol | Mafana: 20 °C; Press: 760 Torr | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
NY FANANANA | sarobidy | toe-javatra | Source |
Fatorana azo ahodina malalaka | 9 | (1) ACD | |
H Acceptors | 8 | (1) ACD | |
H Mpanome | 5 | (1) ACD | |
H Donor/Acceptor Sum | 13 | (1) ACD | |
logP | 2,591±0,426 | Mafana: 25 °C | (1) ACD |
Lanja molekiola | 397.43 |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Structure Related
NY FANANANA | sarobidy | toe-javatra | Source |
Faritra ambonin'ny polar | 131 A2 | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
mafana
NY FANANANA | sarobidy | toe-javatra | Source |
Teboka mangotraka | 671,5±55,0 °C | Press: 760 Torr | (1) ACD |
Enthalpy de evaporation | 103,64±3,0 kJ/mol | Press: 760 Torr | (1) ACD |
Flash point | 359,9±31,5 °C | (1) ACD |
(1) Kajy amin'ny alalan'ny Fampivoarana Chemistry Advanced (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra misy
1H NMR
13C NMR
Lisitra mifehy: IECSC, TCSI, VNECI Confidential Business Information: Public
Regulatory Synonyms | ||
Fmoc-L-2-amino-5-ureido-n-valeric asidra | IECSC | - |
L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]- | TCSI, VNECI | - |
Ny antsipirihan'ny firenena/Iraisam-pirenena & Lisitry ny Firenena/Faritra hafa misy
China Summary
Satan'ny fitahirizana ao amin'ny IECSC
Ny lisitry ny akora simika misy ao Shina: Fmoc-L-2-amino-5-ureido-n-valeric acid
Taiwan Summary
Satan'ny fitahirizana ao amin'ny TCSI Taiwan Government Gazette
Viet Nam Summary
Satan'ny fitahirizana ao amin'ny VNECI
Vietnam Draft National Chemical Inventory