4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2R)-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-methylbutanamide (CHEBI:117656)

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CHEBI:117656 - 4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2R)-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-methylbutanamide

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ChEBI ID	CHEBI:117656
ChEBI Name	4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2R)-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-methylbutanamide
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Downloads	Molfile

Formula	C29H50N4O7S
Net Charge	0
Average Mass	598.807
Monoisotopic Mass	598.34002
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)CCCN(C)C
InChI	InChI=1S/C29H50N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-41(7,37)38)13-14-26(25)40-23(3)11-8-9-16-39-27(21)19-32(6)28(35)12-10-15-31(4)5/h13-14,17,21-23,27,30,34H,8-12,15-16,18-20H2,1-7H3/t21-,22-,23+,27-/m1/s1
InChIKey	MTZUJVYQNWSRMQ-IQXSCUCBSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2R)-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-methylbutanamide (CHEBI:117656) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(3S,9S,10R)-12-[(2R)-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-methylbutanamide (CHEBI:117656) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29105	LINCS