Found 1 result

Search term: MLVTZWQEWUGCSC-IOLBBIBUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (21S,24R)-24-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-4,12,23-trioxo-3,13,22-triazatetracyclo[24.3.1.1~6,10~.1~15,19~]dotriaconta-1(30),6(32),7,9,15(31),16,18,26,28-nonaene-21-carboxamide | C45H47N7O6S

(21S,24R)-24-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-4,12,23-trioxo-3,13,22-triazatetracyclo[24.3.1.16,10.115,19]dotriaconta-1(30),6(32),7,9,15(31),16,18,26,28-nonaene-21-carboxamide

  • Molecular FormulaC45H47N7O6S
  • Average mass813.963 Da
  • Monoisotopic mass813.330872 Da
  • ChemSpider ID28525339

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(21S,24R)-24-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-4,12,23-trioxo-3,13,22-triazatetracyclo[24.3.1.16,10.115,19]dotriaconta-1(30),6(32),7,9,15(31),16,18,26,28-nonaen-21-carboxamid [German] [ACD/IUPAC Name]
(21S,24R)-24-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-4,12,23-trioxo-3,13,22-triazatetracyclo[24.3.1.16,10.115,19]dotriaconta-1(30),6(32),7,9,15(31),16,18,26,28-nonaene-21-carboxamide [ACD/IUPAC Name]
(21S,24R)-24-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-4,12,23-trioxo-3,13,22-triazatétracyclo[24.3.1.16,10.115,19]dotriaconta-1(30),6(32),7,9,15(31),16,18,26,28-nonaène-21-carboxamide [French] [ACD/IUPAC Name]
3,13,22-Triazatetracyclo[24.3.1.16,10.115,19]dotriaconta-1(30),6,8,10(32),15,17,19(31),26,28-nonaene-21-carboxamide, N-[[4-(aminoiminomethyl)phenyl]methyl]-4,12,23-trioxo-24-[[(phenylmethyl)sulfon yl]amino]-, (21S,24R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 226.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.91
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.52
Polar Surface Area: 221 Å2
Polarizability: 90.0±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 610.0±7.0 cm3

Click to predict properties on the Chemicalize site


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