ChemSpider 2D Image | TERT-BUTYL [(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1-OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE | C38H56N6O8

TERT-BUTYL [(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1-OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE

  • Molecular FormulaC38H56N6O8
  • Average mass724.887 Da
  • Monoisotopic mass724.415955 Da
  • ChemSpider ID10015412

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-Cyclopropyl-4-[(2-{[(1S)-2-(diméthylamino)-2-oxo-1-phényléthyl]amino}-2-oxoéthyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-6,6-diméthyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimé thyl-1-oxo-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S)-1-[(1R,2S,5S)-2-({(2S)-1-cyclopropyl-4-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1. 0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-cyclopropyl-4-[(2-{[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino}-2-oxoethyl)amino]-3,4-dioxo-2-butanyl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1. 0]hex-3-yl]-3,3-dimethyl-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[[(1R,2S,5S)-2-[(3S,10S)-3-(cyclopropylmethyl)-12-methyl-1,4,5,8,11-pentaoxo-10-phenyl-2,6,9,12-tetraazatridec-1-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]carbonyl]-2,2-dim ethylpropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
TERT-BUTYL [(1S)-1-({(1R,2S,5S)-2-[(3S,10S)-3-(CYCLOPROPYLMETHYL)-12-METHYL-4,5,8,11-TETRAOXO-10-PHENYL-2,6,9,12-TETRAAZATRIDECAN-1-OYL]-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE
3BC
N-(R-CARBOXY-ETHYL)-α-(S)-(2-PHENYLETHYL)GLYCYL-L-ARGININE-N-PHENYLAMIDE
SCH446211 (SCH6)

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 192.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 318.57
ACD/KOC (pH 5.5): 2153.38
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 318.17
ACD/KOC (pH 7.4): 2150.68
Polar Surface Area: 183 Å2
Polarizability: 76.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 602.6±3.0 cm3

Click to predict properties on the Chemicalize site


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