ChemSpider 2D Image | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-Isopropyl-7-methyl-4-octenoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid | C34H52N4O7

(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-Isopropyl-7-methyl-4-octenoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid

  • Molecular FormulaC34H52N4O7
  • Average mass628.799 Da
  • Monoisotopic mass628.383606 Da
  • ChemSpider ID25057196
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-Isopropyl-7-methyl-4-octenoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)acetic acid [ACD/IUPAC Name]
(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-Isopropyl-7-methyl-4-octenoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phenyl)essigsäure [German] [ACD/IUPAC Name]
(2s)-({n-[(3s)-3-({n-[(2s,4e)-2-Isopropyl-7-Methyloct-4-Enoyl]-L-Leucyl}amino)-2-Oxohexanoyl]glycyl}amino)(Phenyl)acetic Acid
Acide (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-isopropyl-7-méthyl-4-octenoyl]-L-leucyl}amino)-2-oxohexanoyl]glycyl}amino)(phényl)acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[2-[[(3S)-3-[[(2S)-4-methyl-2-[[(2S,4E)-7-methyl-2-(1-methylethyl)-1-oxo-4-octen-1-yl]amino]-1-oxopentyl]amino]-1,2-dioxohexyl]amino]acetyl]amino]-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.523
Molar Refractivity: 172.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 7.32
ACD/KOC (pH 5.5): 29.55
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 171 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 563.5±3.0 cm3

Click to predict properties on the Chemicalize site






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