CHEBI:103670 - 4-chloro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

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ChEBI Name 4-chloro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide
ChEBI ID CHEBI:103670
Stars This entity has been manually annotated by a third party.
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Formula C31H46ClN3O6S
Net Charge 0
Average Mass 624.234
Monoisotopic Mass 623.27959
InChI InChI=1S/C31H46ClN3O6S/c1-6-16-34(5)20-30-22(2)19-35(23(3)21-36)31(37)28-18-26(33-42(38,39)27-13-10-25(32)11-14-27)12-15-29(28)41-24(4)9-7-8-17-40-30/h10-15,18,22-24,30,33,36H,6-9,16-17,19-21H2,1-5H3/t22-,23-,24+,30-/m1/s1
InChIKey XCNKIYRWXFRDDY-HTWFIQDWSA-N
SMILES CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H](CCCCO1)C)[C@H](C)CO)C
ChEBI Ontology
Outgoing 4-chloro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:103670) is a azamacrocycle (CHEBI:52898)
4-chloro-N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (CHEBI:103670) is a lactam (CHEBI:24995)
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