CHEBI:102688 - (3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

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ChEBI Name (3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:102688
Stars This entity has been manually annotated by a third party.
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Formula C26H32ClN3O5
Net Charge 0
Average Mass 502.003
Monoisotopic Mass 501.20305
InChI InChI=1S/C26H32ClN3O5/c1-17(18-6-3-2-4-7-18)28-25(32)13-22-10-11-23-24(35-22)16-34-15-21(31)14-30(23)26(33)29-20-9-5-8-19(27)12-20/h2-9,12,17,21-24,31H,10-11,13-16H2,1H3,(H,28,32)(H,29,33)/t17-,21+,22+,23-,24+/m1/s1
InChIKey QYSMODXJNCJWNA-RNBKDOAQSA-N
SMILES C[C@H](C1=CC=CC=C1)NC(=O)C[C@@H]2CC[C@@H]3[C@@H](O2)COC[C@H](CN3C(=O)NC4=CC(=CC=C4)Cl)O
ChEBI Ontology
Outgoing (3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:102688) is a ureas (CHEBI:47857)
Manual Xref Database
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