ChemSpider 2D Image | 2-{(3R)-3-[(Benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]acetamide | C30H33N7O5S

2-{(3R)-3-[(Benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]acetamide

  • Molecular FormulaC30H33N7O5S
  • Average mass603.692 Da
  • Monoisotopic mass603.226379 Da
  • ChemSpider ID25058060

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-1,4-Benzodiazepine-1-acetamide, N-[(1S)-4-[[(Z)-aminoiminomethyl]amino]-1-formylbutyl]-2,3-dihydro-2-oxo-5-phenyl-3-[[(phenylmethyl)sulfonyl]amino]-, (3R)- [ACD/Index Name]
2-{(3R)-3-[(Benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]acetamid [German] [ACD/IUPAC Name]
2-{(3R)-3-[(Benzylsulfonyl)amino]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl}-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]acetamide [ACD/IUPAC Name]
2-{(3R)-3-[(Benzylsulfonyl)amino]-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-1-yl}-N-[(2S)-5-carbamimidamido-1-oxo-2-pentanyl]acétamide [French] [ACD/IUPAC Name]
N-((1s)-4-{[amino(Imino)methyl]amino}-1-Formylbutyl)-2-{(3r)-3-[(Benzylsulfonyl)amino]-2-Oxo-5-Phenyl-2,3-Dihydro-1h-1,4-Benzodiazepin-1-Yl}acetamide

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: 1.671
Molar Refractivity: 162.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.70
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 435.8±7.0 cm3

Click to predict properties on the Chemicalize site


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