ChemSpider 2D Image | compound 5 [PMID: 21741839] | C26H36N8O4S

compound 5 [PMID: 21741839]

  • Molecular FormulaC26H36N8O4S
  • Average mass556.680 Da
  • Monoisotopic mass556.257996 Da
  • ChemSpider ID25051203
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

compound 5 [PMID: 21741839]
L-Prolinamide, N2-[(phenylmethyl)sulfonyl]-D-arginyl-N-[[4-(aminoiminomethyl)phenyl]methyl]- [ACD/Index Name]
N2-(Benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)-L-prolinamid [German] [ACD/IUPAC Name]
N2-(Benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)-L-prolinamide [ACD/IUPAC Name]
N2-(Benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-1-[(2R)-2-(benzylsulfonylamino)-5-(diaminomethylideneamino)pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
(2s)-1-[(2r)-2-(Benzylsulfonylamino)-5-Guanidino-Pentanoyl]-N-[(4-Carbamimidoylphenyl)methyl]pyrrolidine-2-Carboxamide
BJA

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: 1.674
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -3.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 216 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 391.8±7.0 cm3

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