Found 1 result

Search term: 23243386 (Found by CSID)
ChemSpider 2D Image | N~2~-({(3S,6S,9S,12S,15R)-3-Benzyl-12-[(2S)-2-butanyl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-arginine | C42H62N10O9

N2-({(3S,6S,9S,12S,15R)-3-Benzyl-12-[(2S)-2-butanyl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-arginine

  • Molecular FormulaC42H62N10O9
  • Average mass851.003 Da
  • Monoisotopic mass850.470154 Da
  • ChemSpider ID23243386

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

L-Arginine, N2-[[[(3S,6S,9S,12S,15R)-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-12-[(1S)-1-methylpropyl]-2,5,8,11,14-pentaoxo-3-(phenylmethyl)-1,4,7,10,13-pentaazacyclononadec-15-yl]amino]carbonyl]- [ACD/Index Name]
L-ornithine, N5-(diaminomethylene)-N2-[[[(3S,6S,9S,12S,15R)-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-12-[(1S)-1-methylpropyl]-2,5,8,11,14-pentaoxo-3-(phenylmethyl)-1,4,7,10,13-pentaazacyclononadec-15-yl]amino]carbonyl]-
N2-({(3S,6S,9S,12S,15R)-3-Benzyl-12-[(2S)-2-butanyl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-arginin [German] [ACD/IUPAC Name]
N2-({(3S,6S,9S,12S,15R)-3-Benzyl-12-[(2S)-2-butanyl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-L-arginine [ACD/IUPAC Name]
N2-({(3S,6S,9S,12S,15R)-3-Benzyl-12-[(2S)-2-butanyl]-9-[2-(4-hydroxyphényl)éthyl]-6,7-diméthyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadécan-15-yl}carbamoyl)-L-arginine [French] [ACD/IUPAC Name]
N2-({(3S,6S,9S,12S,15R)-3-benzyl-12-[(2S)-butan-2-yl]-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl}carbamoyl)-N5-(diaminomethylidene)-L-ornithine
2-(3-{3-Benzyl-12-sec-butyl-9-[2-(4-hydroxy-phenyl)-ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13pentaaza-cyclononadec-15-yl}-ureido)-5-guanidino-pentanoic acid
Aeruginosin DA850

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: 1.631
Molar Refractivity: 224.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 297 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 630.0±7.0 cm3

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