Found 1 result

Search term: SEKPCRFTCJTKMS-CZNROWNISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S,7S,10S,14R,17R,20S,23R,26S)-26-Amino-7,20,23-tribenzyl-14-hydroxy-17-(1H-indol-3-ylmethyl)-10,13-dimethyl-6,9,12,16,19,22,25-heptaoxo-1,2-dithia-5,8,11,13,15,18,21,24-octaazacycloheptacosane-4-car boxylic acid | C50H58N10O10S2

(4S,7S,10S,14R,17R,20S,23R,26S)-26-Amino-7,20,23-tribenzyl-14-hydroxy-17-(1H-indol-3-ylmethyl)-10,13-dimethyl-6,9,12,16,19,22,25-heptaoxo-1,2-dithia-5,8,11,13,15,18,21,24-octaazacycloheptacosane-4-car boxylic acid

  • Molecular FormulaC50H58N10O10S2
  • Average mass1023.187 Da
  • Monoisotopic mass1022.377869 Da
  • ChemSpider ID25032860

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4S,7S,10S,14R,17R,20S,23R,26S)-26-Amino-7,20,23-tribenzyl-14-hydroxy-17-(1H-indol-3-ylmethyl)-10,13-dimethyl-6,9,12,16,19,22,25-heptaoxo-1,2-dithia-5,8,11,13,15,18,21,24-octaazacycloheptacosan-4-carb onsäure [German] [ACD/IUPAC Name]
(4S,7S,10S,14R,17R,20S,23R,26S)-26-Amino-7,20,23-tribenzyl-14-hydroxy-17-(1H-indol-3-ylmethyl)-10,13-dimethyl-6,9,12,16,19,22,25-heptaoxo-1,2-dithia-5,8,11,13,15,18,21,24-octaazacycloheptacosane-4-car boxylic acid [ACD/IUPAC Name]
1,2-Dithia-5,8,11,13,15,18,21,24-octaazacycloheptacosane-4-carboxylic acid, 26-amino-14-hydroxy-17-(1H-indol-3-ylmethyl)-10,13-dimethyl-6,9,12,16,19,22,25-heptaoxo-7,20,23-tris(phenylmethyl)-, (4S,7S, 10S,14R,17R,20S,23R,26S)- [ACD/Index Name]
Acide (4S,7S,10S,14R,17R,20S,23R,26S)-26-amino-7,20,23-tribenzyl-14-hydroxy-17-(1H-indol-3-ylméthyl)-10,13-diméthyl-6,9,12,16,19,22,25-heptaoxo-1,2-dithia-5,8,11,13,15,18,21,24-octaazacycloheptacosane -4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1454.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 233.3±3.0 kJ/mol
Flash Point: 833.6±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 272.2±0.3 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 107.9±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 799.1±3.0 cm3

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