Found 1 result

Search term: UMJZICCVSZNIFJ-MYGWSCCLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,6S,9R,12S,15S,23R)-15-[(N-Acetyl-L-norleucyl)amino]-6-(3-carbamimidamidopropyl)-9-(4-fluorobenzyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide | C50H68FN15O9

(3R,6S,9R,12S,15S,23R)-15-[(N-Acetyl-L-norleucyl)amino]-6-(3-carbamimidamidopropyl)-9-(4-fluorobenzyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide

  • Molecular FormulaC50H68FN15O9
  • Average mass1042.168 Da
  • Monoisotopic mass1041.530884 Da
  • ChemSpider ID23199588

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3R,6S,9R,12S,15S,23R)-15-[(N-Acetyl-L-norleucyl)amino]-6-(3-carbamimidamidopropyl)-9-(4-fluorbenzyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazac yclotricosan-23-carboxamid [German] [ACD/IUPAC Name]
(3R,6S,9R,12S,15S,23R)-15-[(N-Acetyl-L-norleucyl)amino]-6-(3-carbamimidamidopropyl)-9-(4-fluorobenzyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide [ACD/IUPAC Name]
(3R,6S,9R,12S,15S,23R)-15-[(N-Acétyl-L-norleucyl)amino]-6-(3-carbamimidamidopropyl)-9-(4-fluorobenzyl)-12-(1H-imidazol-4-ylméthyl)-3-(1H-indol-3-ylméthyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaaza cyclotricosane-23-carboxamide [French] [ACD/IUPAC Name]
(3R,6S,9R,12S,15S,23R)-15-[(N-acetyl-L-norleucyl)amino]-6-{3-[(diaminomethylidene)amino]propyl}-9-(4-fluorobenzyl)-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide
1,4,7,10,13,18-Hexaazacyclotricosane-23-carboxamide, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(diaminomethylene)amino]propyl]-9-[(4-fluorophenyl)methyl]-12-(1H-imidazol-4-ylmethyl)-3-(1H-indo l-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-, (3R,6S,9R,12S,15S,23R)- [ACD/Index Name]
1,4,7,10,13,18-hexaazacyclotricosane-23-carboxamide, 15-[[(2S)-2-(acetylamino)-1-oxohexyl]amino]-6-[3-[(diaminomethylene)amino]propyl]-9-[(4-fluorophenyl)methyl]-12-(1H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-, (3R,6S,9R,12S,15S,23R)-
(3R,6S,9R,12S,15S,23R)-15-((S)-2-Acetylamino-hexanoylamino)-9-(4-fluoro-benzyl)-6-(3-guanidino-propyl)-12-(3H-imidazol-4-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18hexaaza-cyclotricosane-23-carboxylic acid amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL428615/

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: 1.679
Molar Refractivity: 269.8±0.5 cm3
#H bond acceptors: 24
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -4.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 385 Å2
Polarizability: 107.0±0.5 10-24cm3
Surface Tension: 62.1±7.0 dyne/cm
Molar Volume: 714.5±7.0 cm3

Click to predict properties on the Chemicalize site


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