N-[(3R,9S,10R)-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]methanesulfonamide (CHEBI:117704)

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CHEBI:117704 - N-[(3R,9S,10R)-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]methanesulfonamide

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ChEBI ID	CHEBI:117704
ChEBI Name	N-[(3R,9S,10R)-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]methanesulfonamide
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Formula	C30H45N3O6S
Net Charge	0
Average Mass	575.772
Monoisotopic Mass	575.30291
SMILES	C[C@@H]1CCCCO[C@H](CN(C)Cc2ccccc2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1
InChI	InChI=1S/C30H45N3O6S/c1-22-18-33(23(2)21-34)30(35)27-17-26(31-40(5,36)37)14-15-28(27)39-24(3)11-9-10-16-38-29(22)20-32(4)19-25-12-7-6-8-13-25/h6-8,12-15,17,22-24,29,31,34H,9-11,16,18-21H2,1-5H3/t22-,23+,24-,29-/m1/s1
InChIKey	OJAAEAMCTGSNOQ-CDLOMYRSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10R)-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]methanesulfonamide (CHEBI:117704) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10R)-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]methanesulfonamide (CHEBI:117704) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29153	LINCS