Found 6 results

Search term: MF = 'C_{48}H_{69}N_{13}O_{11}S_{2}'
ChemSpider 2D Image | 1-{[(4R,7S,10R,13S,16R)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-ethoxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide | C48H69N13O11S2

1-{[(4R,7S,10R,13S,16R)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-ethoxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide

  • Molecular FormulaC48H69N13O11S2
  • Average mass1068.272 Da
  • Monoisotopic mass1067.468140 Da
  • ChemSpider ID23172044

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-{[(4R,7S,10R,13S,16R)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-ethoxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamid [German] [ACD/IUPAC Name]
1-{[(4R,7S,10R,13S,16R)-7-(2-Amino-2-oxoethyl)-13-benzyl-16-(4-ethoxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide [ACD/IUPAC Name]
1-{[(4R,7S,10R,13S,16R)-7-(2-Amino-2-oxoéthyl)-13-benzyl-16-(4-éthoxybenzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-D-arginylglycinamide [French] [ACD/IUPAC Name]
1-{[(4R,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-13-benzyl-16-(4-ethoxybenzyl)-6,9,12,15,18-pentaoxo-10-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-D-prolyl-N5-(diaminomethylidene)-D-ornithylglycinamide
Glycinamide, 1-[[(4R,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-16-[(4-ethoxyphenyl)methyl]-10-(1-methylethyl)-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbo nyl]-D-prolyl-D-arginyl- [ACD/Index Name]
glycinamide, 1-[[(4R,7S,10R,13S,16R)-7-(2-amino-2-oxoethyl)-16-[(4-ethoxyphenyl)methyl]-10-(1-methylethyl)-6,9,12,15,18-pentaoxo-13-(phenylmethyl)-1,2-dithia-5,8,11,14,17-pentaazacycloeicos-4-yl]carbonyl]-D-prolyl-N5-(diaminomethylene)-D-ornithyl-
(2R)-2-{[(2R)-1-{[(4R,7S,10R,13S,16R)-13-benzyl-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-10-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-5-[(diaminomethylidene)amino]pentanamide
1-[13-Benzyl-7-carbamoylmethyl-16-(4-ethoxy-benzyl)-10-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL274636/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 274.6±0.5 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -3.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 434 Å2
Polarizability: 108.9±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 728.7±7.0 cm3

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