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CHEBI:46064 - 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:46064
ChEBI Name2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
Stars
DownloadsMolfile
FormulaC24H31N3O4S
Net Charge0
Average Mass457.596
Monoisotopic Mass457.20353
SMILES[H]SC([H])([H])[C@@]([H])(C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)OC([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])([H])c1c([H])c([H])c(-c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C24H31N3O4S/c1-16(2)22(24(30)31-3)27-21(28)14-26-23(29)20(15-32)25-13-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,16,20,22,25,32H,13-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,22-/m0/s1
InChIKeyQFAWBPLETHINFK-UNMCSNQZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER (CHEBI:46064) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTERPDBeChem
methyl N-(biphenyl-4-ylmethyl)-L-cysteinylglycyl-L-valinatePDBeChem
Manual XrefsDatabases
TR1PDBeChem