ChemSpider 2D Image | 4-carbamimidamido-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)butanamide | C23H32N6O5S

4-carbamimidamido-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)butanamide

  • Molecular FormulaC23H32N6O5S
  • Average mass504.602 Da
  • Monoisotopic mass504.215485 Da
  • ChemSpider ID392485
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

4-[(Diaminomethylen)amino]-N-({(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]-2-pyrrolidinyl}methyl)butanamid [German] [ACD/IUPAC Name]
4-[(Diaminomethylene)amino]-N-({(2S)-1-[N-(2-naphthylsulfonyl)-L-seryl]-2-pyrrolidinyl}methyl)butanamide [ACD/IUPAC Name]
4-[(Diaminométhylène)amino]-N-({(2S)-1-[N-(2-naphtylsulfonyl)-L-séryl]-2-pyrrolidinyl}méthyl)butanamide [French] [ACD/IUPAC Name]
4-carbamimidamido-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)butanamide
Butanamide, 4-[(diaminomethylene)amino]-N-[[(2S)-1-[(2S)-3-hydroxy-2-[(2-naphthalenylsulfonyl)amino]-1-oxopropyl]-2-pyrrolidinyl]methyl]- [ACD/Index Name]
S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE
4-Guanidino-N-{(S)-1-[(S)-3-hydroxy-2-(naphthalene-2-sulfonylamino)-propionyl]-pyrrolidin-2-ylmethyl}-butyramide
BM2
CHEMBL138783
S-(R,R)]-4-[aminoiminomethyl)amino]-N-[[1-[3-Hydroxy -2-[(2-Naphthalenylsulfonyl)amino]-1-Oxopropyl]-2-Pyrrolidinyl] Methyl]butanamide

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

bms-186282 [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: 1.672
Molar Refractivity: 130.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 64.3±7.0 dyne/cm
Molar Volume: 347.5±7.0 cm3

Click to predict properties on the Chemicalize site






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