ChemSpider 2D Image | N-[(2R)-1-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-({(2S)-3-methyl-2-[(morpholin-4-ylcarbonyl)amino]butanoyl}amino)-1,6-diphenylhexan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide (non-preferred name) | C38H56N6O8

N-[(2R)-1-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-({(2S)-3-methyl-2-[(morpholin-4-ylcarbonyl)amino]butanoyl}amino)-1,6-diphenylhexan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide (non-preferred name)

  • Molecular FormulaC38H56N6O8
  • Average mass724.887 Da
  • Monoisotopic mass724.415955 Da
  • ChemSpider ID23196536

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Altritol, 1,2,5,6-tetradeoxy-2-[[(2R)-3-methyl-2-[(4-morpholinylcarbonyl)amino]-1-oxobutyl]amino]-5-[[(2S)-3-methyl-2-[(4-morpholinylcarbonyl)amino]-1-oxobutyl]amino]-1,6-diphenyl- [ACD/Index Name]
N-[(2R)-1-{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-({(2S)-3-methyl-2-[(4-morpholinylcarbonyl)amino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]-4-morpholincarboxamid (non-preferred n ame) [German] [ACD/IUPAC Name]
N-[(2R)-1-{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-({(2S)-3-methyl-2-[(4-morpholinylcarbonyl)amino]butanoyl}amino)-1,6-diphenyl-2-hexanyl]amino}-3-methyl-1-oxo-2-butanyl]-4-morpholinecarboxamide (non-preferred name) [ACD/IUPAC Name]
N-[(2R)-1-{[(2S,3R,4S,5S)-3,4-Dihydroxy-5-({(2S)-3-méthyl-2-[(4-morpholinylcarbonyl)amino]butanoyl}amino)-1,6-diphényl-2-hexanyl]amino}-3-méthyl-1-oxo-2-butanyl]-4-morpholinecarboxamide (non-preferred name) [French] [ACD/IUPAC Name]
N-[(2R)-1-{[(2S,3R,4S,5S)-3,4-dihydroxy-5-({(2S)-3-methyl-2-[(morpholin-4-ylcarbonyl)amino]butanoyl}amino)-1,6-diphenylhexan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]morpholine-4-carboxamide (non-preferred name)
4N-[1-[1-benzyl-2,3-dihydroxy-4-[2-methyl-1-(1,4-oxazinan-4-ylcarboxamido)-(1S)-propylcarboxamido]-5-phenyl-(1S,2R,3S,4S)-pentylcarbamoyl]-2-methyl-(1R)-propyl]-1,4-oxazinane-4-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL322964/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1063.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.1±3.0 kJ/mol
Flash Point: 596.7±34.3 °C
Index of Refraction: 1.572
Molar Refractivity: 194.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.70
ACD/KOC (pH 5.5): 374.88
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.70
ACD/KOC (pH 7.4): 374.88
Polar Surface Area: 182 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 591.1±3.0 cm3

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