ChemSpider 2D Image | 1-{[(4R,7S,10S,13R)-13-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]carbonyl}-L-prolyl-N~5~-(diaminomethylene)-L-ornithine | C26H43N11O9S2

1-{[(4R,7S,10S,13R)-13-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]carbonyl}-L-prolyl-N5-(diaminomethylene)-L-ornithine

  • Molecular FormulaC26H43N11O9S2
  • Average mass717.818 Da
  • Monoisotopic mass717.268677 Da
  • ChemSpider ID2339336
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

1-{[(4R,7S,10S,13R)-13-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]carbonyl}-L-prolyl-N5-(diaminomethylen)-L-ornithin [German] [ACD/IUPAC Name]
1-{[(4R,7S,10S,13R)-13-Amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecan-4-yl]carbonyl}-L-prolyl-N5-(diaminomethylene)-L-ornithine [ACD/IUPAC Name]
1-{[(4R,7S,10S,13R)-13-Amino-7-(2-amino-2-oxoéthyl)-10-(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotétradécan-4-yl]carbonyl}-L-prolyl-N5-(diaminométhylène)-L-ornithine [French] [ACD/IUPAC Name]
L-Ornithine, 1-[[(4R,7S,10S,13R)-13-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradec-4-yl]carbonyl]-L-prolyl-N5-(diaminomethylene)- [ACD/Index Name]
(2S)-2-{[(2S)-1-[(4R,7S,10S,13R)-13-AMINO-10-(2-CARBAMOYLETHYL)-7-(CARBAMOYLMETHYL)-6,9,12-TRIOXO-1,2-DITHIA-5,8,11-TRIAZACYCLOTETRADECANE-4-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANOIC ACID
133761-86-1 [RN]
2-Destyrosyl-3-desphenylalanyl-9-desglycyl-amide-argipressin
Argipressin (4-8)
Vasopressin, 2-de-L-tyrosine-3-de-L-phenylalanine-8-L-arginine-9-deglycinamide-

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.750
Molar Refractivity: 169.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -6.36
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): -8.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 401 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 86.5±7.0 dyne/cm
Molar Volume: 415.6±7.0 cm3

Click to predict properties on the Chemicalize site






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