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

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

  • Molecular FormulaC27H44N10O6
  • Average mass604.702 Da
  • Monoisotopic mass604.344543 Da
  • ChemSpider ID34678
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Valinamide, N2-[[[(1S)-1-carboxy-2-phenylethyl]amino]carbonyl]-N5-(diaminomethylene)-L-ornithyl-N-[(1S)-4-[(diaminomethylene)amino]-1-formylbutyl]- [ACD/Index Name]
N2-{[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}-N5-(diaminomethylen)-L-ornithyl-N-{(2S)-5-[(diaminomethylen)amino]-1-oxo-2-pentanyl}-L-valinamid [German] [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-2-phenylethyl]carbamoyl}-N5-(diaminomethylene)-L-ornithyl-N-{(2S)-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-valinamide [ACD/IUPAC Name]
N2-{[(1S)-1-Carboxy-2-phényléthyl]carbamoyl}-N5-(diaminométhylène)-L-ornithyl-N-{(2S)-5-[(diaminométhylène)amino]-1-oxo-2-pentanyl}-L-valinamide [French] [ACD/IUPAC Name]
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid
37691-11-5 [RN]
Antipain
Anti-pain
L-Valinamide, N(sup 2)-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-
L-Valinamide, N2-(((1-carboxy-2-phenylethyl)amino)carbonyl)-L-arginyl-N-(4-((aminoiminomethyl)amino)-1-formylbutyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS006469 [DBID]
AIDS-006469 [DBID]
CCRIS 3605 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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


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