ChemSpider 2D Image | N-[(5R)-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine | C14H25N3O6S

N-[(5R)-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine

  • Molecular FormulaC14H25N3O6S
  • Average mass363.430 Da
  • Monoisotopic mass363.146393 Da
  • ChemSpider ID23150145

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Valine, N-[(5R)-5-amino-5-carboxy-1-oxopentyl]-L-cysteinyl- [ACD/Index Name]
N-[(5R)-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valin [German] [ACD/IUPAC Name]
N-[(5R)-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine [ACD/IUPAC Name]
N-[(5R)-5-Amino-5-carboxypentanoyl]-L-cystéinyl-D-valine [French] [ACD/IUPAC Name]
(2R)-2-amino-5-{[(1R)-1-{[(1R)-1-carboxy-2-methylpropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}pentanoic acid
2-Amino-5-[1-(1-carboxy-2-methyl-propylcarbamoyl)-2-mercapto-ethylcarbamoyl]-pentanoic acid
93133-50-7 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418100/
N-[N-(5-Amino-5-carboxy-1-oxopentyl)-L-cysteinyl]-(R)-D-valine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 718.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 114.3±6.0 kJ/mol
Flash Point: 388.1±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 88.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 280.0±3.0 cm3

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