N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:117609)

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CHEBI:117609 - N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide

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ChEBI ID	CHEBI:117609
ChEBI Name	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide
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Formula	C31H45N3O7S
Net Charge	0
Average Mass	603.782
Monoisotopic Mass	603.29782
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)OCCCC[C@H](C)Oc2ccc(NC(=O)Cc3ccccc3)cc2C1=O
InChI	InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-30(36)17-25-12-7-6-8-13-25)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)42(5,38)39/h6-8,12-15,18,22-24,29,35H,9-11,16-17,19-21H2,1-5H3,(H,32,36)/t22-,23+,24-,29+/m0/s1
InChIKey	XPIAMQJKSFNCJS-HNFJUSDZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:117609) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide (CHEBI:117609) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29058	LINCS