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CHEBI:41185 - [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID

Default Structure
ChEBI IDCHEBI:41185
ChEBI Name[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC36H51N5O9
Net Charge0
Average Mass697.830
Monoisotopic Mass697.36868
SMILES[H]OC(=O)[C@]([H])(c1c([H])c([H])c([H])c([H])c1[H])N([H])C(=O)C([H])([H])N([H])C(=O)C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C1([H])C([H])([H])C1([H])[H])C([H])([H])C1([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C36H51N5O9/c1-21(2)20-50-36(49)41-29(24-9-5-3-6-10-24)33(45)39-27(18-23-15-16-23)32(44)38-26(17-22-13-14-22)31(43)34(46)37-19-28(42)40-30(35(47)48)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26-27,29-30H,3,5-6,9-10,13-20H2,1-2H3,(H,37,46)(H,38,44)(H,39,45)(H,40,42)(H,41,49)(H,47,48)/t26-,27-,29-,30-/m0/s1
InChIKeyVZZMJPCOMQVXJP-ZHTHUIBPSA-N
ChEBI Ontology
Outgoing Relation(s)
[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID (CHEBI:41185) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-({N-[(3S)-3-({N-[(2S)-2-cyclohexyl-2-{[(2-methylpropoxy)carbonyl]amino}acetyl]-3-cyclopropyl-L-alanyl}amino)-4-cyclopropyl-2-oxobutanoyl]glycyl}amino)(phenyl)ethanoic acidPDBeChem
[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACIDPDBeChem
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