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CHEBI:94678 - (3S,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

ChEBI IDCHEBI:94678
ChEBI Name(3S,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
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DownloadsMolfile
FormulaC32H45N3O4S
Net Charge0
Average Mass567.796
Monoisotopic Mass567.31308
SMILESCc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27+,29-/m1/s1
InChIKeyQAGYKUNXZHXKMR-BBDMRMKHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4aR,8aR)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide (CHEBI:94678) is a amino acid amide (CHEBI:22475)
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