CHEBI:127372 - N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

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ChEBI Name N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
ChEBI ID CHEBI:127372
Stars This entity has been manually annotated by a third party.
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Formula C24H31Cl2N3O5S
Net Charge 0
Average Mass 544.493
Monoisotopic Mass 543.13615
InChI InChI=1S/C24H31Cl2N3O5S/c1-15-11-29(16(2)14-30)24(31)18-6-5-7-21(27-35(4,32)33)23(18)34-22(15)13-28(3)12-17-8-9-19(25)20(26)10-17/h5-10,15-16,22,27,30H,11-14H2,1-4H3/t15-,16+,22+/m0/s1
InChIKey DFZXWWYSPBEGFY-WJONJSRFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@@H]1CN(C)CC3=CC(=C(C=C3)Cl)Cl)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:127372) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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