CHEBI:124194 - 4-chloro-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

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ChEBI Name 4-chloro-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
ChEBI ID CHEBI:124194
Stars This entity has been manually annotated by a third party.
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Formula C26H34ClN3O5S
Net Charge 0
Average Mass 536.085
Monoisotopic Mass 535.19077
InChI InChI=1S/C26H34ClN3O5S/c1-17-13-30(18(2)16-31)26(32)23-12-21(28-36(33,34)22-9-6-20(27)7-10-22)8-11-24(23)35-25(17)15-29(3)14-19-4-5-19/h6-12,17-19,25,28,31H,4-5,13-16H2,1-3H3/t17-,18+,25-/m0/s1
InChIKey LRWRZSQCEACSFH-ATLLOTDBSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H]1CN(C)CC4CC4)[C@H](C)CO
ChEBI Ontology
Outgoing 4-chloro-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:124194) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35636 LINCS
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