ChemSpider 2D Image | N~2~-[(1-Carboxy-2-phenylethyl)carbamoyl]-N~5~-(diaminomethylene)ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}valinamide | C27H44N10O6

N2-[(1-Carboxy-2-phenylethyl)carbamoyl]-N5-(diaminomethylene)ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}valinamide

  • Molecular FormulaC27H44N10O6
  • Average mass604.702 Da
  • Monoisotopic mass604.344543 Da
  • ChemSpider ID2120

More details:

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

N2-[(1-Carboxy-2-phenylethyl)carbamoyl]-N5-(diaminomethylen)ornithyl-N-{5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}valinamid [German] [ACD/IUPAC Name]
N2-[(1-Carboxy-2-phenylethyl)carbamoyl]-N5-(diaminomethylene)ornithyl-N-{5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}valinamide [ACD/IUPAC Name]
N2-[(1-Carboxy-2-phényléthyl)carbamoyl]-N5-(diaminométhylène)ornithyl-N-{5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}valinamide [French] [ACD/IUPAC Name]
Valinamide, N2-[[(1-carboxy-2-phenylethyl)amino]carbonyl]-N5-(diaminomethylene)ornithyl-N-[4-[(diaminomethylene)amino]-1-formylbutyl]- [ACD/Index Name]
2-[[5-(diaminomethylideneamino)-1-[[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
37682-72-7 [RN]
37691-11-5 [RN]
Antipain
Antipain (dihydrochloride)
MFCD30179339

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: 1.632
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 435.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement