ChemSpider 2D Image | Terlipressin | C52H74N16O15S2

Terlipressin

  • Molecular FormulaC52H74N16O15S2
  • Average mass1227.372 Da
  • Monoisotopic mass1226.496094 Da
  • ChemSpider ID65067
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2S)-1-{[(4R,7S,10S,13S,16S,19R)-19-{[({[(Aminoacetyl)amino]acetyl}amino)acetyl]amino}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5 ,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-hexanyl}-2-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(2S)-1-{[(4R,7S,10S,13S,16S,19R)-19-{[({[(Aminoacetyl)amino]acetyl}amino)acetyl]amino}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5 ,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-hexanyl}-2-pyrrolidinecarboxamide [ACD/IUPAC Name]
(2S)-1-{[(4R,7S,10S,13S,16S,19R)-19-{[({[(Aminoacetyl)amino]acetyl}amino)acetyl]amino}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl}pyrrolidine-2-carboxamide (non-preferred name)
(2S)-1-{[(4R,7S,10S,13S,16S,19R)-19-{[2-({2-[(2-Aminoacétyl)amino]acétyl}amino)acétyl]amino}-7-(2-amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-di thia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-6-amino-1-[(2-amino-2-oxoéthyl)amino]-1-oxo-2-hexanyl}-2-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
14636-12-5 [RN]
Terlipressin [USAN] [Wiki]
Terlipressina [Spanish] [INN]
Terlipressine [French] [INN]
Terlipressinum [Latin]
UNII:7Z5X49W53P
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

pip [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1824.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 306.0±3.0 kJ/mol
Flash Point: 1056.9±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 310.1±0.4 cm3
#H bond acceptors: 31
#H bond donors: 21
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: -6.75
ACD/LogD (pH 5.5): -11.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 563 Å2
Polarizability: 123.0±0.5 10-24cm3
Surface Tension: 87.4±5.0 dyne/cm
Molar Volume: 835.8±5.0 cm3

Click to predict properties on the Chemicalize site





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