N-[(3S,9S,10R)-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]cyclohexanecarboxamide (CHEBI:110971)

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CHEBI:110971 - N-[(3S,9S,10R)-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]cyclohexanecarboxamide

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ChEBI ID	CHEBI:110971
ChEBI Name	N-[(3S,9S,10R)-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]cyclohexanecarboxamide
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Formula	C30H49N3O7S
Net Charge	0
Average Mass	595.803
Monoisotopic Mass	595.32912
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)S(C)(=O)=O
InChI	InChI=1S/C30H49N3O7S/c1-21-18-33(22(2)20-34)30(36)26-17-25(31-29(35)24-12-7-6-8-13-24)14-15-27(26)40-23(3)11-9-10-16-39-28(21)19-32(4)41(5,37)38/h14-15,17,21-24,28,34H,6-13,16,18-20H2,1-5H3,(H,31,35)/t21-,22-,23+,28-/m1/s1
InChIKey	XEPWKRSQLBTXFU-SQVYLTPJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-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]cyclohexanecarboxamide (CHEBI:110971) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-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]cyclohexanecarboxamide (CHEBI:110971) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22415	LINCS