CHEBI:127229 - N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide
ChEBI ID CHEBI:127229
Stars This entity has been manually annotated by a third party.
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Formula C31H39N3O9S2
Net Charge 0
Average Mass 661.789
Monoisotopic Mass 661.21277
InChI InChI=1S/C31H39N3O9S2/c1-21-18-34(22(2)20-35)31(36)17-23-16-24(32-44(37,38)27-11-7-25(41-4)8-12-27)6-15-29(23)43-30(21)19-33(3)45(39,40)28-13-9-26(42-5)10-14-28/h6-16,21-22,30,32,35H,17-20H2,1-5H3/t21-,22-,30+/m0/s1
InChIKey RFGPXVMTNFVDAR-MWXNICTNSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)OC)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide (CHEBI:127229) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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