ChemSpider 2D Image | GB110 | C33H48N6O5

GB110

  • Molecular FormulaC33H48N6O5
  • Average mass608.771 Da
  • Monoisotopic mass608.368591 Da
  • ChemSpider ID34980861

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1Z,2S)-N-(3-{[4-(Aminomethyl)-1-piperidinyl]carbonyl}benzyl)-2-[(Z)-{(2S)-3-cyclohexyl-1-hydroxy-2-[(1,2-oxazol-5-ylcarbonyl)amino]propyliden}amino]-3-methylpentanimidsäure [German] [ACD/IUPAC Name]
(1Z,2S)-N-(3-{[4-(Aminomethyl)-1-piperidinyl]carbonyl}benzyl)-2-[(Z)-{(2S)-3-cyclohexyl-1-hydroxy-2-[(1,2-oxazol-5-ylcarbonyl)amino]propylidene}amino]-3-methylpentanimidic acid [ACD/IUPAC Name]
Acide (1Z,2S)-N-(3-{[4-(aminométhyl)-1-pipéridinyl]carbonyl}benzyl)-2-[(Z)-{(2S)-3-cyclohexyl-1-hydroxy-2-[(1,2-oxazol-5-ylcarbonyl)amino]propylidène}amino]-3-méthylpentanimidique [French] [ACD/IUPAC Name]
Cyclohexanepropanimidic acid, N-[(1S)-1-[(Z)-[[[3-[[4-(aminomethyl)-1-piperidinyl]carbonyl]phenyl]methyl]imino]hydroxymethyl]-2-methylbutyl]-α-[(5-isoxazolylcarbonyl)amino]-, (αS)- [ACD/Index Name]
GB110
GB 110
GB 110|GB-110
N-[(2S)-1-[[(2S)-1-[[3-[4-(aminomethyl)piperidine-1-carbonyl]phenyl] methylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan- 2-yl]-1,2-oxazole-5-carboxamide

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

GB-110 [DBID]

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: 1.630
Molar Refractivity: 167.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 167 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 469.0±7.0 cm3

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