N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:131106)

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CHEBI:131106 - N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)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 ID	CHEBI:131106
ChEBI Name	N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)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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Downloads	Molfile

Formula	C36H49N3O6S
Net Charge	0
Average Mass	651.870
Monoisotopic Mass	651.33421
SMILES	Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)O3)cc1
InChI	InChI=1S/C36H49N3O6S/c1-26-14-17-32(18-15-26)46(42,43)37-31-16-19-34-33(21-31)36(41)39(28(3)25-40)22-27(2)35(44-20-10-9-11-29(4)45-34)24-38(5)23-30-12-7-6-8-13-30/h6-8,12-19,21,27-29,35,37,40H,9-11,20,22-25H2,1-5H3/t27-,28-,29-,35+/m0/s1
InChIKey	KOKOKXHYQUPZOB-QTGLSOTKSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:131106) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:131106) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42654	LINCS