Found 29 results

Search term: RCGXNDQKCXNWLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-{(9S,15R)-9-benzyl-15-[(2S)-2-butanyl]-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclo nonadecan-18-yl}-D-isoleucinamide | C75H124N14O16

N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-{(9S,15R)-9-benzyl-15-[(2S)-2-butanyl]-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclo nonadecan-18-yl}-D-isoleucinamide

  • Molecular FormulaC75H124N14O16
  • Average mass1477.871 Da
  • Monoisotopic mass1476.932007 Da
  • ChemSpider ID338253

  • defined stereocentres - 5 of 16 defined stereocentres

More details:

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

D-Isoleucinamide, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-[(9S,15R)-6-ethylidene-19-methyl-3,12-bis(1-methylethyl)-15-[(1S)-1-methylpropyl]-2,5,8,11,14,17-hexaoxo-9-(pheny lmethyl)-1-oxa-4,7,10,13,16-pentaazacyclononadec-18-yl]- [ACD/Index Name]
N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-{(9S,15R)-9-benzyl-15-[(2S)-2-butanyl]-6-ethyliden-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclon onadecan-18-yl}-D-isoleucinamid [German] [ACD/IUPAC Name]
N-(5-Methylhexanoyl)valylthreonylvalylvalyl-D-prolyl-L-ornithyl-N-{(9S,15R)-9-benzyl-15-[(2S)-2-butanyl]-6-ethylidene-3,12-diisopropyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclo nonadecan-18-yl}-D-isoleucinamide [ACD/IUPAC Name]
N-(5-Méthylhexanoyl)valylthréonylvalylvalyl-D-prolyl-L-ornithyl-N-{(9S,15R)-9-benzyl-15-[(2S)-2-butanyl]-6-éthylidène-3,12-diisopropyl-19-méthyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclo nonadécan-18-yl}-D-isoleucinamide [French] [ACD/IUPAC Name]

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

NCI60_023973 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1630.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 268.2±3.0 kJ/mol
Flash Point: 939.7±34.3 °C
Index of Refraction: 1.564
Molar Refractivity: 397.6±0.4 cm3
#H bond acceptors: 30
#H bond donors: 15
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 4
ACD/LogP: 6.53
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.18
Polar Surface Area: 442 Å2
Polarizability: 157.6±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 1221.7±5.0 cm3

Click to predict properties on the Chemicalize site


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