ChemSpider 2D Image | 1-(6-Amino-2-{[(1R)-1-amino-2-hydroxypropyl]carbamoyl}hexanoyl)-L-prolyl-N~5~-(diaminomethylene)-L-ornithine | C21H40N8O6

1-(6-Amino-2-{[(1R)-1-amino-2-hydroxypropyl]carbamoyl}hexanoyl)-L-prolyl-N5-(diaminomethylene)-L-ornithine

  • Molecular FormulaC21H40N8O6
  • Average mass500.592 Da
  • Monoisotopic mass500.307068 Da
  • ChemSpider ID116616
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(6-Amino-2-{[(1R)-1-amino-2-hydroxypropyl]carbamoyl}hexanoyl)-L-prolyl-N5-(diaminomethylen)-L-ornithin [German] [ACD/IUPAC Name]
1-(6-Amino-2-{[(1R)-1-amino-2-hydroxypropyl]carbamoyl}hexanoyl)-L-prolyl-N5-(diaminomethylene)-L-ornithine [ACD/IUPAC Name]
1-(6-Amino-2-{[(1R)-1-amino-2-hydroxypropyl]carbamoyl}hexanoyl)-L-prolyl-N5-(diaminométhylène)-L-ornithine [French] [ACD/IUPAC Name]
L-Ornithine, 1-[6-amino-2-[[[(1R)-1-amino-2-hydroxypropyl]amino]carbonyl]-1-oxohexyl]-L-prolyl-N5-(diaminomethylene)- [ACD/Index Name]
(1R-(1R*(R*),2S*))-N2-(1-(6-Amino-2-(((1-amino-2-hydroxypropyl)amino)carbonyl)-1-oxohexyl)-L-prolyl)-L-arginine
(2S)-2-{[(2S)-1-(2-{[(1R)-1-AMINO-2-HYDROXYPROPYL]CARBAMOYL}-2-(4-AMINOBUTYL)ACETYL)PYRROLIDIN-2-YL]FORMAMIDO}-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANOIC ACID
136981-77-6 [RN]
H-Thr-(ψ)(nhco)(R,S)lys-pro-arg-OH
H-Thr-(ψ)(nhco)lys-pro-arg-OH
L-Arginine, N2-(1-(6-amino-2-(((1-amino-2-hydroxypropyl)amino)carbonyl)-1-oxohexyl)-L-prolyl)-, (1R-(1R*(R*),2S*))-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -7.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 336.6±7.0 cm3

Click to predict properties on the Chemicalize site






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