N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:107013)

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CHEBI:107013 - N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide

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ChEBI ID	CHEBI:107013
ChEBI Name	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide
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Downloads	Molfile

Formula	C31H45N3O7S
Net Charge	0
Average Mass	603.782
Monoisotopic Mass	603.29782
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)Cc1ccccc1
InChI	InChI=1S/C31H45N3O7S/c1-22-19-34(23(2)21-35)31(37)27-18-26(32-42(5,38)39)14-15-28(27)41-24(3)11-9-10-16-40-29(22)20-33(4)30(36)17-25-12-7-6-8-13-25/h6-8,12-15,18,22-24,29,32,35H,9-11,16-17,19-21H2,1-5H3/t22-,23+,24+,29+/m1/s1
InChIKey	VOOFHSDUWYITSP-MSCBGTKOSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:107013) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:107013) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18367	LINCS