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CHEBI:40311 - 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:40311
ChEBI Name5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC33H35N3O7
Net Charge0
Average Mass585.657
Monoisotopic Mass585.24750
SMILES[H]OC(=O)c1c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])[C@]2([H])C(=O)N(C([H])([H])c3c([H])c([H])c(-c4c([H])c([H])c([H])c([H])c4[H])c([H])c3[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)C([H])([H])[H])c([H])c([H])c1C([H])([H])C(=O)O[H]
InChIInChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1
InChIKeyCEKLBQMULVLLTD-VMPREFPWSA-N
ChEBI Ontology
Outgoing Relation(s)
5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID (CHEBI:40311) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACIDPDBeChem
5-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-(carboxymethyl)benzoic acidPDBeChem
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