CHEBI:124778 - N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide
ChEBI ID CHEBI:124778
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H34ClN3O6S
Net Charge 0
Average Mass 600.128
Monoisotopic Mass 599.18568
InChI InChI=1S/C30H34ClN3O6S/c1-20-17-34(21(2)19-35)30(37)26-16-24(32-29(36)15-22-7-5-4-6-8-22)11-14-27(26)40-28(20)18-33(3)41(38,39)25-12-9-23(31)10-13-25/h4-14,16,20-21,28,35H,15,17-19H2,1-3H3,(H,32,36)/t20-,21+,28+/m1/s1
InChIKey OPYKWGJVQMREOT-GGJMMHKRSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide (CHEBI:124778) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36220 LINCS
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