CHEBI:124063 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
ChEBI ID CHEBI:124063
Stars This entity has been manually annotated by a third party.
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Formula C31H43N3O7S
Net Charge 0
Average Mass 601.756
Monoisotopic Mass 601.28217
InChI InChI=1S/C31H43N3O7S/c1-21-18-34(22(2)20-35)30(36)17-24-16-25(32-31(37)23-8-6-5-7-9-23)10-15-28(24)41-29(21)19-33(3)42(38,39)27-13-11-26(40-4)12-14-27/h10-16,21-23,29,35H,5-9,17-20H2,1-4H3,(H,32,37)/t21-,22-,29-/m1/s1
InChIKey HMOIQSJYWSUWIU-IEOSBIPESA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)C3CCCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)OC)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:124063) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35505 LINCS
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