CHEBI:124631 - N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
ChEBI ID CHEBI:124631
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H40N4O6S
Net Charge 0
Average Mass 560.708
Monoisotopic Mass 560.26686
InChI InChI=1S/C28H40N4O6S/c1-20-17-32(21(2)19-33)28(35)24-16-22(29-27(34)12-9-15-30(3)4)13-14-25(24)38-26(20)18-31(5)39(36,37)23-10-7-6-8-11-23/h6-8,10-11,13-14,16,20-21,26,33H,9,12,15,17-19H2,1-5H3,(H,29,34)/t20-,21+,26+/m0/s1
InChIKey RYGUZWJSQXSRBK-LZCXECNNSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CN(C)S(=O)(=O)C3=CC=CC=C3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:124631) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36073 LINCS
View more database links