CHEBI:123906 - 4-chloro-N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-chloro-N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide
ChEBI ID CHEBI:123906
Stars This entity has been manually annotated by a third party.
Supplier Information
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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)22-5-4-6-23(28-36(33,34)21-11-9-20(27)10-12-21)25(22)35-24(17)15-29(3)14-19-7-8-19/h4-6,9-12,17-19,24,28,31H,7-8,13-16H2,1-3H3/t17-,18-,24+/m1/s1
InChIKey QGNVKOPRWJDOFN-GGUMNFRJSA-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,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide (CHEBI:123906) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35348 LINCS
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