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CHEBI:45403 - 1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID

Default Structure
ChEBI IDCHEBI:45403
ChEBI Name1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
Stars
DownloadsMolfile
FormulaC39H43N4O6P
Net Charge0
Average Mass694.769
Monoisotopic Mass694.29202
SMILES[H]O[P@@](=O)(C([H])([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])c1c([H])n([H])c2c([H])c([H])c([H])c([H])c12)C([H])([H])C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])[C@]([H])(N([H])C(=O)OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)/t31-,35+,36+/m1/s1
InChIKeyYQEMFOGNUTYMTJ-JNBVYXHXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID (CHEBI:45403) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACIDPDBeChem
Nalpha-[(2S)-2-{[(S)-[(1S)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamidePDBeChem
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