ChemSpider 2D Image | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER | C30H35N5O6

2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER

  • Molecular FormulaC30H35N5O6
  • Average mass561.629 Da
  • Monoisotopic mass561.258728 Da
  • ChemSpider ID4450209
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[7-(2-{4-[(2S)-2-({[(3R)-1-Carbamimidoyl-3-piperidinyl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)acetic acid [ACD/IUPAC Name]
[7-(2-{4-[(2S)-2-({[(3R)-1-Carbamimidoyl-3-piperidinyl]acetyl}amino)-3-methoxy-3-oxopropyl]phenyl}ethyl)-1H-indol-3-yl](oxo)essigsäure [German] [ACD/IUPAC Name]
2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
Acide [7-(2-{4-[(2S)-2-({2-[(3R)-1-carbamimidoyl-3-pipéridinyl]acétyl}amino)-3-méthoxy-3-oxopropyl]phényl}éthyl)-1H-indol-3-yl](oxo)acétique [French] [ACD/IUPAC Name]
L-Phenylalanine, N-[2-[(3R)-1-[(E)-aminoiminomethyl]-3-piperidinyl]acetyl]-4-[2-[3-(carboxycarbonyl)-1H-indol-7-yl]ethyl]-, methyl ester [ACD/Index Name]
CMM

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.660
Molar Refractivity: 150.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 406.4±7.0 cm3

Click to predict properties on the Chemicalize site






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