CHEBI:103506 - N-[(3R,9S,10R)-12-[(2S)-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]-4-methylbenzenesulfonamide

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ChEBI Name N-[(3R,9S,10R)-12-[(2S)-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]-4-methylbenzenesulfonamide
ChEBI ID CHEBI:103506
Stars This entity has been manually annotated by a third party.
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Formula C32H49N3O6S
Net Charge 0
Average Mass 603.815
Monoisotopic Mass 603.33421
InChI InChI=1S/C32H49N3O6S/c1-7-17-34(6)21-31-24(3)20-35(25(4)22-36)32(37)29-19-27(33-42(38,39)28-14-11-23(2)12-15-28)13-16-30(29)41-26(5)10-8-9-18-40-31/h11-16,19,24-26,31,33,36H,7-10,17-18,20-22H2,1-6H3/t24-,25+,26-,31-/m1/s1
InChIKey YZTWEKNKNNRJIX-FVCFNFBRSA-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)C)O[C@@H](CCCCO1)C)[C@@H](C)CO)C
ChEBI Ontology
Outgoing N-[(3R,9S,10R)-12-[(2S)-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]-4-methylbenzenesulfonamide (CHEBI:103506) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10R)-12-[(2S)-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]-4-methylbenzenesulfonamide (CHEBI:103506) is a lactam (CHEBI:24995)
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