ChemSpider 2D Image | N-({2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}carbonyl)-L-valyl-N~5~-carbamoyl-N-{4-[7-({[(1S)-1-(chloromethyl)-3-({6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridin-2-yl}carbonyl)-9-met hyl-2,3-dihydro-1H-benzo[e]indol-5-yl]oxy}carbonyl)-12-hydroxy-4-methyl-3-oxo-2,10-dioxa-4,7-diazadodec-1-yl]phenyl}-L-ornithinamide | C65H75ClN12O17

N-({2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}carbonyl)-L-valyl-N5-carbamoyl-N-{4-[7-({[(1S)-1-(chloromethyl)-3-({6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridin-2-yl}carbonyl)-9-met hyl-2,3-dihydro-1H-benzo[e]indol-5-yl]oxy}carbonyl)-12-hydroxy-4-methyl-3-oxo-2,10-dioxa-4,7-diazadodec-1-yl]phenyl}-L-ornithinamide

  • Molecular FormulaC65H75ClN12O17
  • Average mass1331.814 Da
  • Monoisotopic mass1330.506226 Da
  • ChemSpider ID78317772

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Ornithinamide, N-[[2-[2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)ethoxy]ethoxy]carbonyl]-L-valyl-N5-(aminocarbonyl)-N-[4-[7-[[[(1S)-1-(chloromethyl)-2,3-dihydro-3-[[6-[(4-hydroxybenzoyl)amino]imidazo [1,2-a]pyridin-2-yl]carbonyl]-9-methyl-1H-benz[e]indol-5-yl]oxy]carbonyl]-12-hydroxy-4-methyl-3-oxo-2,10-dioxa-4,7-diazadodec-1-yl]phenyl]- [ACD/Index Name]
N-({2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}carbonyl)-L-valyl-N5-carbamoyl-N-{4-[7-({[(1S)-1-(chlormethyl)-3-({6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridin-2-yl}carbonyl)-9-meth yl-2,3-dihydro-1H-benzo[e]indol-5-yl]oxy}carbonyl)-12-hydroxy-4-methyl-3-oxo-2,10-dioxa-4,7-diazadodec-1-yl]phenyl}-L-ornithinamid [German] [ACD/IUPAC Name]
N-({2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethoxy]ethoxy}carbonyl)-L-valyl-N5-carbamoyl-N-{4-[7-({[(1S)-1-(chloromethyl)-3-({6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridin-2-yl}carbonyl)-9-met hyl-2,3-dihydro-1H-benzo[e]indol-5-yl]oxy}carbonyl)-12-hydroxy-4-methyl-3-oxo-2,10-dioxa-4,7-diazadodec-1-yl]phenyl}-L-ornithinamide [ACD/IUPAC Name]
N-({2-[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)éthoxy]éthoxy}carbonyl)-L-valyl-N5-carbamoyl-N-{4-[7-({[(1S)-1-(chlorométhyl)-3-({6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridin-2-yl}carbonyl)-9-mét hyl-2,3-dihydro-1H-benzo[e]indol-5-yl]oxy}carbonyl)-12-hydroxy-4-méthyl-3-oxo-2,10-dioxa-4,7-diazadodéc-1-yl]phényl}-L-ornithinamide [French] [ACD/IUPAC Name]
[(1S)-1-(chloromethyl)-3-[6-[(4-hydroxybenzoyl)amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxycarbonylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
1345681-58-4 [RN]
Vc-seco-DUBA

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: 1.659
Molar Refractivity: 342.8±0.5 cm3
#H bond acceptors: 29
#H bond donors: 9
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.13
ACD/KOC (pH 5.5): 2160.49
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 268.24
ACD/KOC (pH 7.4): 1804.66
Polar Surface Area: 374 Å2
Polarizability: 135.9±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 929.2±7.0 cm3

Click to predict properties on the Chemicalize site


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