CHEBI:108893 - N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide

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ChEBI Name N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
ChEBI ID CHEBI:108893
Stars This entity has been manually annotated by a third party.
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Formula C27H33ClF3N3O6S
Net Charge 0
Average Mass 620.083
Monoisotopic Mass 619.17307
InChI InChI=1S/C27H33ClF3N3O6S/c1-17-14-34(18(2)16-35)26(37)13-19-12-21(32-25(36)10-11-27(29,30)31)6-9-23(19)40-24(17)15-33(3)41(38,39)22-7-4-20(28)5-8-22/h4-9,12,17-18,24,35H,10-11,13-16H2,1-3H3,(H,32,36)/t17-,18+,24+/m0/s1
InChIKey BTSOZOCIIHDJJX-HOOSLVGPSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide (CHEBI:108893) is a sulfonamide (CHEBI:35358)
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