ChemSpider 2D Image | (3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide | C25H34N6O5S

(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide

  • Molecular FormulaC25H34N6O5S
  • Average mass530.640 Da
  • Monoisotopic mass530.231140 Da
  • ChemSpider ID392486
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]-2-pyrrolidinyl}methyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]-2-pyrrolidinyl}methyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S)-1-Carbamimidoyl-N-({(2S)-1-[N-(2-naphtylsulfonyl)-L-séryl]-2-pyrrolidinyl}méthyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3S)-1-carbamimidoyl-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)piperidine-3-carboxamide
[S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE
3-Piperidinecarboxamide, 1-[(E)-aminoiminomethyl]-N-[[(2S)-1-[(2S)-3-hydroxy-2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl]methyl]-, (3S)- [ACD/Index Name]
(S)-1-Carbamimidoyl-piperidine-3-carboxylic acid {(S)-1-[(S)-3-hydroxy-2-(naphthalene-2-sulfonylamino)-propionyl]-pyrrolidin-2-ylmethyl}-amide
[s-(R,R)]-1-(Aminoiminomethyl)-N-[[1-[n-[(2-Naphthalenylsulfonyl)-L-Seryl]-3-Pyrrolidinyl]methyl]-3-Piperidenecarboxamide
BM9

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

BMS-189090 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 357.1±7.0 cm3

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