CHEBI:126049 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide

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ChEBI Name N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
ChEBI ID CHEBI:126049
Stars This entity has been manually annotated by a third party.
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Formula C30H37N3O5S
Net Charge 0
Average Mass 551.699
Monoisotopic Mass 551.24539
InChI InChI=1S/C30H37N3O5S/c1-21-10-13-26(14-11-21)39(36,37)31-25-12-15-28-27(16-25)30(35)33(23(3)20-34)17-22(2)29(38-28)19-32(4)18-24-8-6-5-7-9-24/h5-16,22-23,29,31,34H,17-20H2,1-4H3/t22-,23+,29-/m1/s1
InChIKey CRQBJZYLFKMVFS-RLPNJSHFSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)C)O[C@@H]1CN(C)CC4=CC=CC=C4)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide (CHEBI:126049) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-37616 LINCS
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