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CHEBI:42522 - 3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID

Default Structure
ChEBI IDCHEBI:42522
ChEBI Name3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H29N3O7
Net Charge0
Average Mass435.477
Monoisotopic Mass435.20055
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)C([H])([H])[H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C21H29N3O7/c1-12(2)18(24-21(30)31-11-15-8-6-5-7-9-15)20(29)22-13(3)19(28)23-16(14(4)25)10-17(26)27/h5-9,12-13,16,18H,10-11H2,1-4H3,(H,22,29)(H,23,28)(H,24,30)(H,26,27)/t13-,16-,18-/m0/s1
InChIKeyCYBAOBDVBPVSDJ-OWQGQXMQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (CHEBI:42522) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACIDPDBeChem
N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-2-oxopropyl]-L-alaninamidePDBeChem
Manual XrefsDatabases
F3GPDBeChem