ChemSpider 2D Image | (5S,8S)-5-(2-Carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-8-isopropyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10,11-tetraazatridecan-13-oic acid | C32H41N5O11

(5S,8S)-5-(2-Carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-8-isopropyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10,11-tetraazatridecan-13-oic acid

  • Molecular FormulaC32H41N5O11
  • Average mass671.695 Da
  • Monoisotopic mass671.280273 Da
  • ChemSpider ID26325747

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-5-[[(2S)-1-[2-(carboxymethyl)-2-[(3S)-3-hydroxy-4-oxo-4-(phenethylamino)butanoyl]hydrazinyl]-3-methyl-1-oxo-butan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
(5S,8S)-5-(2-Carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-8-isopropyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10,11-tetraazatridecan-13-oic acid [ACD/IUPAC Name]
(5S,8S)-5-(2-Carboxyethyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phenylethyl)amino]butanoyl}-8-isopropyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10,11-tetraazatridecan-13-säure [German] [ACD/IUPAC Name]
Acide (5S,8S)-5-(2-carboxyéthyl)-11-{(3S)-3-hydroxy-4-oxo-4-[(2-phényléthyl)amino]butanoyl}-8-isopropyl-3,6,9-trioxo-1-phényl-2-oxa-4,7,10,11-tétraazatridécan-13-oïque [French] [ACD/IUPAC 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: 1.584
Molar Refractivity: 168.2±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 502.8±3.0 cm3

Click to predict properties on the Chemicalize site


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