ChemSpider 2D Image | N-(2-Amino-2-oxoethyl)-1-[2-(3-carbamimidamidopropyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-isobutyl-8-(2-naphthylmethyl)-4,7,10,13,16,19,22-he
ptaoxo-22-(5-oxo-2-pyrrolidinyl)-3,6,9,12,15,18,21-heptaazadocosan-1-oyl]-2-pyrrolidinecarboxamide | C66H83N17O13

N-(2-Amino-2-oxoethyl)-1-[2-(3-carbamimidamidopropyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-isobutyl-8-(2-naphthylmethyl)-4,7,10,13,16,19,22-he ptaoxo-22-(5-oxo-2-pyrrolidinyl)-3,6,9,12,15,18,21-heptaazadocosan-1-oyl]-2-pyrrolidinecarboxamide

  • Molecular FormulaC66H83N17O13
  • Average mass1322.471 Da
  • Monoisotopic mass1321.635620 Da
  • ChemSpider ID10605761

More details:






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

N-(2-Amino-2-oxoethyl)-1-[2-(3-carbamimidamidopropyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-isobutyl-8-(2-naphthylmethyl)-4,7,10,13,16,19,22-he ptaoxo-22-(5-oxo-2-pyrrolidinyl)-3,6,9,12,15,18,21-heptaazadocosan-1-oyl]-2-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-(2-Amino-2-oxoethyl)-1-[2-(3-carbamimidamidopropyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-20-(1H-imidazol-4-ylmethyl)-17-(1H-indol-3-ylmethyl)-5-isobutyl-8-(2-naphthylmethyl)-4,7,10,13,16,19,22-he ptaoxo-22-(5-oxo-2-pyrrolidinyl)-3,6,9,12,15,18,21-heptaazadocosan-1-oyl]-2-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-(2-Amino-2-oxoéthyl)-1-[2-(3-carbamimidamidopropyl)-11-(4-hydroxybenzyl)-14-(hydroxyméthyl)-20-(1H-imidazol-4-ylméthyl)-17-(1H-indol-3-ylméthyl)-5-isobutyl-8-(2-naphtylméthyl)-4,7,10,13,16,19,22-hep taoxo-22-(5-oxo-2-pyrrolidinyl)-3,6,9,12,15,18,21-heptaazadocosan-1-oyl]-2-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
N-(5-carbamimidamido-1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)
N-(5-carbamimidamido-1-{2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl}-1-oxopentan-2-yl)-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-3-(naphthalen-2-yl)propanamido}-4-methylpentanamide
N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(2-naphthalenyl)-1-oxopro
N-{5-carbamimidamido-1-[2-(carbamoylmethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl}-2-{2-[2-(3-hydroxy-2-{2-[3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidin-2-yl)formamido]propanamido]-3-(1H-indol-3-yl)propanamido}propanamido)-3-(4-hydroxyphenyl)propanamido]-
Nafaréline
Nafarelil
Nafarelil (Trade name)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 346.5±0.5 cm3
#H bond acceptors: 30
#H bond donors: 19
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 472 Å2
Polarizability: 137.3±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 885.8±7.0 cm3

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