CHEBI:124563 - N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
ChEBI ID CHEBI:124563
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H31FN4O6S
Net Charge 0
Average Mass 570.634
Monoisotopic Mass 570.19483
InChI InChI=1S/C28H31FN4O6S/c1-18-15-33(19(2)17-34)28(36)24-14-22(31-27(35)20-10-12-30-13-11-20)6-9-25(24)39-26(18)16-32(3)40(37,38)23-7-4-21(29)5-8-23/h4-14,18-19,26,34H,15-17H2,1-3H3,(H,31,35)/t18-,19+,26-/m1/s1
InChIKey SQBTVDLOUYEYHC-UYXZNNOOSA-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)F)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124563) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36005 LINCS
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