CHEBI:127812 - N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide
ChEBI ID CHEBI:127812
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H33ClN4O8S2
Net Charge 0
Average Mass 641.159
Monoisotopic Mass 640.14283
InChI InChI=1S/C27H33ClN4O8S2/c1-16-13-32(17(2)15-33)27(34)22-7-6-8-23(30-41(35,36)26-18(3)29-40-19(26)4)25(22)39-24(16)14-31(5)42(37,38)21-11-9-20(28)10-12-21/h6-12,16-17,24,30,33H,13-15H2,1-5H3/t16-,17-,24-/m0/s1
InChIKey YCBAHVPGHXUZCR-UAVUOLJFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=C(ON=C3C)C)O[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:127812) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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