ChemSpider 2D Image | N-{[(5S,8S,11S,14S,17S,20S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaa zacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-lysylglycyl-L-prolyl-L-proline | C101H153N29O27

N-{[(5S,8S,11S,14S,17S,20S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaa zacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-lysylglycyl-L-prolyl-L-proline

  • Molecular FormulaC101H153N29O27
  • Average mass2205.474 Da
  • Monoisotopic mass2204.149170 Da
  • ChemSpider ID78442473

  • defined stereocentres - 17 of 18 defined stereocentres

More details:

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

L-Proline, N-[[(5S,8S,11S,14S,17S,20S)-20-[3-[(aminoiminomethyl)amino]propyl]-8-(3-amino-3-oxopropyl)-5-(hydroxymethyl)-17-[(4-hydroxyphenyl)methyl]-14-(1-methylethyl)-11-(2-methylpropyl)-3,6,9,12,15, 18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaazacyclohexacos-23-yl]carbonyl]-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-lysylglycyl-L-prolyl- [ACD/Index Name]
N-{[(5S,8S,11S,14S,17S,20S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaa zacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-lysylglycyl-L-prolyl-L-prolin [German] [ACD/IUPAC Name]
N-{[(5S,8S,11S,14S,17S,20S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxymethyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaa zacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-seryl-L-asparaginyl-L-valyl-L-isoleucyl-L-lysylglycyl-L-prolyl-L-proline [ACD/IUPAC Name]
N-{[(5S,8S,11S,14S,17S,20S)-8-(3-Amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-17-(4-hydroxybenzyl)-5-(hydroxyméthyl)-11-isobutyl-14-isopropyl-3,6,9,12,15,18,21,26-octaoxo-1,4,7,10,13,16,19,22-octaa zacyclohexacosan-23-yl]carbonyl}-L-tryptophyl-L-valylglycyl-L-histidyl-L-séryl-L-asparaginyl-L-valyl-L-isoleucyl-L-lysylglycyl-L-prolyl-L-proline [French] [ACD/IUPAC Name]
Lariatin B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 556.0±0.5 cm3
#H bond acceptors: 56
#H bond donors: 34
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 3
ACD/LogP: -6.04
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 881 Å2
Polarizability: 220.4±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 1471.4±7.0 cm3

Click to predict properties on the Chemicalize site


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