ChemSpider 2D Image | 1-{[11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-21-hydroxy-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-yl]carbonyl}prolyl-N
~5~-(diaminomethylene)ornithylglycinamide | C46H64N14O12S2

1-{[11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-21-hydroxy-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-yl]carbonyl}prolyl-N 5-(diaminomethylene)ornithylglycinamide

  • Molecular FormulaC46H64N14O12S2
  • Average mass1069.217 Da
  • Monoisotopic mass1068.427002 Da
  • ChemSpider ID169146

More details:






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

1-{[11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-21-hydroxy-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-yl]carbonyl}prolyl-N ;5-(diaminomethylen)ornithylglycinamid [German] [ACD/IUPAC Name]
1-{[11-Amino-3-(2-amino-2-oxoethyl)-17-benzyl-21-hydroxy-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadecahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-yl]carbonyl}prolyl-N ;5-(diaminomethylene)ornithylglycinamide [ACD/IUPAC Name]
1-{[11-Amino-3-(2-amino-2-oxoéthyl)-17-benzyl-21-hydroxy-14-(4-hydroxybenzyl)-1,4,12,15,18-pentaoxooctadécahydro-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacycloicosin-6-yl]carbonyl}prolyl-N ;5-(diaminométhylène)ornithylglycinamide [French] [ACD/IUPAC Name]
Glycinamide, 1-[[11-amino-3-(2-amino-2-oxoethyl)octadecahydro-21-hydroxy-14-[(4-hydroxyphenyl)methyl]-1,4,12,15,18-pentaoxo-17-(phenylmethyl)-1H,10H-pyrrolo[2,1-j][1,2,5,8,11,14,17]dithiapentaazacyclo ;eicosin-6-yl]carbonyl]prolyl-N5-(diaminomethylene)ornithyl- [ACD/Index Name]
112935-96-3 [RN]
4-Hydroxy-pro-argipressin
4-OH-Pro-avp
Arginine vasopressin, hydroxy-pho(4)-
Argipressin, hydroxy-pro(4)-
Argipressin, hydroxyproline(4)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.739
Molar Refractivity: 266.5±0.5 cm3
#H bond acceptors: 26
#H bond donors: 18
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -6.80
ACD/LogD (pH 5.5): -9.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 483 Å2
Polarizability: 105.7±0.5 10-24cm3
Surface Tension: 78.0±7.0 dyne/cm
Molar Volume: 661.5±7.0 cm3

Click to predict properties on the Chemicalize site






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