ChemSpider 2D Image | N-Methylglycyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidylprolyl-L-alanine | C42H65N13O10

N-Methylglycyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidylprolyl-L-alanine

  • Molecular FormulaC42H65N13O10
  • Average mass912.047 Da
  • Monoisotopic mass911.497742 Da
  • ChemSpider ID4576604

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

L-Alanine, N-methylglycyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidylprolyl- [ACD/Index Name]
N-Methylglycyl-N5-(diaminomethylen)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidylprolyl-L-alanin [German] [ACD/IUPAC Name]
N-Methylglycyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidylprolyl-L-alanine [ACD/IUPAC Name]
N-Méthylglycyl-N5-(diaminométhylène)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidylprolyl-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-({1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-5-[(diaminomethylidene)amino]-2-[2-(methylamino)acetamido]pentanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl}formamido)propanoic acid
2-({1-[2-{2-[2-{2-[5-Guanidino-2-(2-methylamino-acetylamino)-pentanoylamino]-3-methyl-butyrylamino}-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-butyrylamino}-3-(3H-imidazol-4-yl)-propionyl]-pyrrolidine-2-carbonyl}-amino)-propionic acid(saralasin)

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 234.2±0.5 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -5.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 358 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 639.3±7.0 cm3

Click to predict properties on the Chemicalize site


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