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Search term: 65791030 (Found by CSID)
ChemSpider 2D Image | jizanpeptin C | C47H75BrN8O16S

jizanpeptin C

  • Molecular FormulaC47H75BrN8O16S
  • Average mass1120.111 Da
  • Monoisotopic mass1118.420532 Da
  • ChemSpider ID65791030

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

Butanamide, N-[(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-aminobutyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-21-hydroxy-4,11-dimethyl-2-[(1R)-1-methylpropyl]-8-[(1S)-1-methylpropyl]-3,6,9,13,16,22-hexaoxo-10-o xa-1,4,7,14,17-pentaazabicyclo[16.3.1]docos-12-yl]-2-[[(2R)-2-methoxy-1-oxo-3-(sulfooxy)propyl]amino]-3-methyl-, (2S)- [ACD/Index Name]
jizanpeptin C
N-{(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Ammoniobutyl)-5-(3-brom-4-methoxybenzyl)-2-[(2R)-2-butanyl]-8-[(2S)-2-butanyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicycl ;o[16.3.1]docos-12-yl}-N2-[(2R)-2-methoxy-3-(sulfonatooxy)propanoyl]-L-valinamid [German] [ACD/IUPAC Name]
N-{(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Ammoniobutyl)-5-(3-bromo-4-methoxybenzyl)-2-[(2R)-2-butanyl]-8-[(2S)-2-butanyl]-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyc ;lo[16.3.1]docos-12-yl}-N2-[(2R)-2-methoxy-3-(sulfonatooxy)propanoyl]-L-valinamide [ACD/IUPAC Name]
N-{(2S,5S,8S,11R,12S,15S,18S,21R)-15-(4-Ammoniobutyl)-5-(3-bromo-4-méthoxybenzyl)-2-[(2R)-2-butanyl]-8-[(2S)-2-butanyl]-21-hydroxy-4,11-diméthyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyc ;lo[16.3.1]docos-12-yl}-N2-[(2R)-2-méthoxy-3-(sulfonatooxy)propanoyl]-L-valinamide [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -3.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 354 Å2
Polarizability:
Surface Tension:
Molar Volume:

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