N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:131012)

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CHEBI:131012 - N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-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:131012
ChEBI Name	N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide
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Downloads	Molfile

Formula	C27H45N3O6S
Net Charge	0
Average Mass	539.739
Monoisotopic Mass	539.30291
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O1
InChI	InChI=1S/C27H45N3O6S/c1-19-15-30(20(2)18-31)27(32)24-14-23(28-37(5,33)34)11-12-25(24)36-21(3)8-6-7-13-35-26(19)17-29(4)16-22-9-10-22/h11-12,14,19-22,26,28,31H,6-10,13,15-18H2,1-5H3/t19-,20+,21+,26-/m0/s1
InChIKey	DRBRVKGUSIXHOZ-BPUGDSSMSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:131012) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide (CHEBI:131012) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42560	LINCS