CHEBI:130975 - N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:130975
Stars This entity has been manually annotated by a third party.
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Formula C28H31ClN4O6S
Net Charge 0
Average Mass 587.089
Monoisotopic Mass 586.16528
InChI InChI=1S/C28H31ClN4O6S/c1-18-15-33(19(2)17-34)28(36)23-5-4-6-24(31-27(35)20-11-13-30-14-12-20)26(23)39-25(18)16-32(3)40(37,38)22-9-7-21(29)8-10-22/h4-14,18-19,25,34H,15-17H2,1-3H3,(H,31,35)/t18-,19+,25-/m0/s1
InChIKey NNFLZGMNEUTXDX-CEYNDMKZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC=NC=C3)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-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:130975) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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