ChemSpider 2D Image | N-{[7,34-Bis(4-aminobutyl)-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-isobutyl-19-isopropyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-u ndecaazacyclooctatriacontan-4-yl]carbonyl}glycylglycylglycyl-N-[4-({2-[(4-amino-1-carboxy-4-oxobutyl)amino]-2-oxoethyl}carbamoyl)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecan -10-yl]glycinamide | C83H133N29O27S4

N-{[7,34-Bis(4-aminobutyl)-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-isobutyl-19-isopropyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-u ndecaazacyclooctatriacontan-4-yl]carbonyl}glycylglycylglycyl-N-[4-({2-[(4-amino-1-carboxy-4-oxobutyl)amino]-2-oxoethyl}carbamoyl)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecan -10-yl]glycinamide

  • Molecular FormulaC83H133N29O27S4
  • Average mass2097.382 Da
  • Monoisotopic mass2095.880859 Da
  • ChemSpider ID31149632

More details:

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

Glycinamide, N-[[7,34-bis(4-aminobutyl)-13-[3-[(aminoiminomethyl)amino]propyl]-16,31-bis(carboxymethyl)-19-(1-methylethyl)-28-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-25-(phenylmethyl )-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacont-4-yl]carbonyl]glycylglycylglycyl-N-[4-[[[2-[(4-amino-1-carboxy-4-oxobutyl)amino]-2-oxoethyl]amino]carbonyl]-7-[3-[(aminoiminometh yl)amino]propyl]-6,9-dioxo-1,2-dithia-5,8-di [ACD/Index Name]
N-{[7,34-Bis(4-aminobutyl)-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-isobutyl-19-isopropyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-u ndecaazacyclooctatriacontan-4-yl]carbonyl}glycylglycylglycyl-N-[4-({2-[(4-amino-1-carboxy-4-oxobutyl)amino]-2-oxoethyl}carbamoyl)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecan -10-yl]glycinamid [German] [ACD/IUPAC Name]
N-{[7,34-Bis(4-aminobutyl)-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxymethyl)-28-isobutyl-19-isopropyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-u ndecaazacyclooctatriacontan-4-yl]carbonyl}glycylglycylglycyl-N-[4-({2-[(4-amino-1-carboxy-4-oxobutyl)amino]-2-oxoethyl}carbamoyl)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundecan -10-yl]glycinamide [ACD/IUPAC Name]
N-{[7,34-Bis(4-aminobutyl)-25-benzyl-13-(3-carbamimidamidopropyl)-16,31-bis(carboxyméthyl)-28-isobutyl-19-isopropyl-6,9,12,15,18,21,24,27,30,33,36-undécaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-u ndécaazacyclooctatriacontan-4-yl]carbonyl}glycylglycylglycyl-N-[4-({2-[(4-amino-1-carboxy-4-oxobutyl)amino]-2-oxoéthyl}carbamoyl)-7-(3-carbamimidamidopropyl)-6,9-dioxo-1,2-dithia-5,8-diazacycloundécan -10-yl]glycinamide [French] [ACD/IUPAC Name]
129203-60-7 [RN]
iberiotoxin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 511.6±0.5 cm3
#H bond acceptors: 56
#H bond donors: 37
#Freely Rotating Bonds: 45
#Rule of 5 Violations: 3
ACD/LogP: -9.50
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: 1014 Å2
Polarizability: 202.8±0.5 10-24cm3
Surface Tension: 73.3±7.0 dyne/cm
Molar Volume: 1333.0±7.0 cm3

Click to predict properties on the Chemicalize site


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