ChemSpider 2D Image | N-[(3-Carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide | C27H37N7O6S

N-[(3-Carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide

  • Molecular FormulaC27H37N7O6S
  • Average mass587.691 Da
  • Monoisotopic mass587.252625 Da
  • ChemSpider ID4484168

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-({1-[3-CARBAMIMIDOYL-1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-PROPYLCARBAMOYL]-2-METHYL-BUTYLSULFAMOYL}-METHYL)-BENZOIC ACID
L-Ornithinamide, N-[[(3-carboxyphenyl)methyl]sulfonyl]-D-isoleucyl-N-[[4-[(Z)-aminoiminomethyl]phenyl]methyl]-5-imino- [ACD/Index Name]
N-[(3-Carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamid [German] [ACD/IUPAC Name]
N-[(3-Carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide [ACD/IUPAC Name]
N-[(3-Carboxybenzyl)sulfonyl]-D-isoleucyl-N-(4-carbamimidoylbenzyl)-5-imino-L-ornithinamide [French] [ACD/IUPAC Name]
3-({[(1R,2R)-1-{[(1S)-3-carbamimidoyl-1-{[(4-carbamimidoylphenyl)methyl]carbamoyl}propyl]carbamoyl}-2-methylbutyl]sulfamoyl}methyl)benzoic acid
3CB
N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N1-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE

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: 1.644
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 0.46
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 418.3±7.0 cm3

Click to predict properties on the Chemicalize site


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