CHEBI:111767 - N-[(2S,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]-2-thiophenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,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]-2-thiophenesulfonamide
ChEBI ID CHEBI:111767
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H33N3O5S2
Net Charge 0
Average Mass 507.669
Monoisotopic Mass 507.18616
InChI InChI=1S/C24H33N3O5S2/c1-16-12-27(17(2)15-28)24(29)19-6-4-7-20(25-34(30,31)22-8-5-11-33-22)23(19)32-21(16)14-26(3)13-18-9-10-18/h4-8,11,16-18,21,25,28H,9-10,12-15H2,1-3H3/t16-,17-,21-/m1/s1
InChIKey JSDMQXJTQZGOQF-CBGDNZLLSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=CS3)O[C@@H]1CN(C)CC4CC4)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,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]-2-thiophenesulfonamide (CHEBI:111767) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-23180 LINCS
View more database links