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CHEBI:41169 - (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID

Default Structure
ChEBI IDCHEBI:41169
ChEBI Name(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC35H52N6O9
Net Charge0
Average Mass700.834
Monoisotopic Mass700.37958
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@]([H])(O[H])[C@@]([H])(N([H])C(=O)N(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/C35H52N6O9/c1-21(2)20-50-35(49)39-28(24-9-5-3-6-10-24)31(44)40-41(19-23-15-16-23)34(48)37-26(17-22-13-14-22)30(43)32(45)36-18-27(42)38-29(33(46)47)25-11-7-4-8-12-25/h4,7-8,11-12,21-24,26,28-30,43H,3,5-6,9-10,13-20H2,1-2H3,(H,36,45)(H,37,48)(H,38,42)(H,39,49)(H,40,44)(H,46,47)/t26-,28-,29-,30+/m0/s1
InChIKeyPLFWZBVXDUFZCY-ZVVXMFRTSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID (CHEBI:41169) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACIDPDBeChem
(2S)-({N-[(2R,3S,9S)-9-cyclohexyl-3,6-bis(cyclopropylmethyl)-2-hydroxy-14-methyl-5,8,11-trioxo-12-oxa-4,6,7,10-tetraazapentadecan-1-oyl]glycyl}amino)(phenyl)ethanoic acidPDBeChem
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