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CHEBI:123976 - N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide

ChEBI IDCHEBI:123976
ChEBI NameN-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide
Stars
DownloadsMolfile
FormulaC28H40N4O6S
Net Charge0
Average Mass560.717
Monoisotopic Mass560.26686
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccccc1
InChIInChI=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-/m1/s1
InChIKeyRYGUZWJSQXSRBK-YZIHRLCOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide (CHEBI:123976) is a sulfonamide (CHEBI:35358)
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