ChemSpider 2D Image | (Z)-N-[(4S)-4-Carboxy-4-{(Z)-[(4S)-4-carboxy-4-{(Z)-[(4S)-4-carboxy-1-hydroxy-4-({4-[2-(4-hydroxy-2-imino-2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)butylidene]amino}-1-hydroxybut ylidene]amino}-1-hydroxybutylidene]glutamic acid | C35H42N8O15

(Z)-N-[(4S)-4-Carboxy-4-{(Z)-[(4S)-4-carboxy-4-{(Z)-[(4S)-4-carboxy-1-hydroxy-4-({4-[2-(4-hydroxy-2-imino-2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)butylidene]amino}-1-hydroxybut ylidene]amino}-1-hydroxybutylidene]glutamic acid

  • Molecular FormulaC35H42N8O15
  • Average mass814.753 Da
  • Monoisotopic mass814.276978 Da
  • ChemSpider ID64873357

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(Z)-N-[(4S)-4-Carboxy-4-{(Z)-[(4S)-4-carboxy-4-{(Z)-[(4S)-4-carboxy-1-hydroxy-4-({4-[2-(4-hydroxy-2-imino-2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)butyliden]amino}-1-hydroxybuty liden]amino}-1-hydroxybutyliden]glutaminsäure [German] [ACD/IUPAC Name]
(Z)-N-[(4S)-4-Carboxy-4-{(Z)-[(4S)-4-carboxy-4-{(Z)-[(4S)-4-carboxy-1-hydroxy-4-({4-[2-(4-hydroxy-2-imino-2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}amino)butylidene]amino}-1-hydroxybut ylidene]amino}-1-hydroxybutylidene]glutamic acid [ACD/IUPAC Name]
Acide (Z)-N-[(4S)-4-carboxy-4-{(Z)-[(4S)-4-carboxy-4-{(Z)-[(4S)-4-carboxy-1-hydroxy-4-({4-[2-(4-hydroxy-2-imino-2,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)éthyl]benzoyl}amino)butylidène]amino}-1-hydr oxybutylidène]amino}-1-hydroxybutylidène]glutamique [French] [ACD/IUPAC Name]
Glutamic acid, N-[(4S)-4-carboxy-4-[[(1Z,4S)-4-carboxy-4-[[(1Z,4S)-4-carboxy-4-[[4-[2-(2,7-dihydro-4-hydroxy-2-imino-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-1-hydroxybutylidene]amino]-1-h ydroxybutylidene]amino]-1-hydroxybutylidene]-, (Z)- [ACD/Index Name]
LY231514 TETRA GLU

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.700
Molar Refractivity: 192.3±0.5 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: 0.33
ACD/LogD (pH 5.5): -6.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 398 Å2
Polarizability: 76.2±0.5 10-24cm3
Surface Tension: 76.8±7.0 dyne/cm
Molar Volume: 497.2±7.0 cm3

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