ChemSpider 2D Image | S-{1-[(4-{[(1-{(34S)-37-Amino-34-[(4-{[({[(4S)-4,11-diethyl-9-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl]oxy}carbonyl)oxy]methyl}phenyl)carbamoyl]-28,32 -dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacont-1-yl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl}cyclohexyl)methyl]-2,5-dioxo-3-pyrrolidinyl}-L-cysteine | C75H102N12O24S

S-{1-[(4-{[(1-{(34S)-37-Amino-34-[(4-{[({[(4S)-4,11-diethyl-9-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl]oxy}carbonyl)oxy]methyl}phenyl)carbamoyl]-28,32 -dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacont-1-yl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl}cyclohexyl)methyl]-2,5-dioxo-3-pyrrolidinyl}-L-cysteine

  • Molecular FormulaC75H102N12O24S
  • Average mass1587.743 Da
  • Monoisotopic mass1586.685059 Da
  • ChemSpider ID58172699

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

L-Cysteine, S-[1-[[4-[[[[1-[(34S)-37-amino-34-[[[4-[[[[[(4S)-4,11-diethyl-3,4,12,14-tetrahydro-9-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl]oxy]carbonyl]oxy]methyl]phenyl]am ino]carbonyl]-28,32-dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacont-1-yl]-1H-1,2,3-triazol-4-yl]methyl]amino]carbonyl]cyclohexyl]methyl]-2,5-dioxo-3-pyrrolidinyl]- [ACD/Index Name]
S-{1-[(4-{[(1-{(34S)-37-Amino-34-[(4-{[({[(4S)-4,11-diethyl-9-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-4-yl]oxy}carbonyl)oxy]methyl}phenyl)carbamoyl]-28,32 -dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacont-1-yl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl}cyclohexyl)methyl]-2,5-dioxo-3-pyrrolidinyl}-L-cystein [German] [ACD/IUPAC Name]
S-{1-[(4-{[(1-{(34S)-37-Amino-34-[(4-{[({[(4S)-4,11-diéthyl-9-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-4-yl]oxy}carbonyl)oxy]méthyl}phényl)carbamoyl]-28,3 2-dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacont-1-yl}-1H-1,2,3-triazol-4-yl)méthyl]carbamoyl}cyclohexyl)méthyl]-2,5-dioxo-3-pyrrolidinyl}-L-cystéine [French] [ACD/IUPAC Name]
S-{1-[(4-{[(1-{(34S)-37-Amino-34-[(4-{[({[(4S)-4,11-diethyl-9-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl]oxy}carbonyl)oxy]methyl}phenyl)carbamoyl]-28,32 -dioxo-3,6,9,12,15,18,21,24,30-nonaoxa-27,33-diazaheptatriacont-1-yl}-1H-1,2,3-triazol-4-yl)methyl]carbamoyl}cyclohexyl)methyl]-2,5-dioxo-3-pyrrolidinyl}-L-cysteine [ACD/IUPAC Name]
1469876-18-3 [RN]
LABETUZUMAB GOVITECAN
UNII:8E3HI6QQ9J

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 397.2±0.5 cm3
#H bond acceptors: 36
#H bond donors: 10
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 3
ACD/LogP: -1.41
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 497 Å2
Polarizability: 157.5±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 1097.2±7.0 cm3

Click to predict properties on the Chemicalize site


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