4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:117771)

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CHEBI:117771 - 4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

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ChEBI ID	CHEBI:117771
ChEBI Name	4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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Downloads	Molfile

Formula	C28H48N4O5
Net Charge	0
Average Mass	520.715
Monoisotopic Mass	520.36247
SMILES	CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)CCCN(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChI	InChI=1S/C28H48N4O5/c1-20-18-32(21(2)19-33)28(35)24-16-23(30-27(34)11-9-14-31(5)6)12-13-25(24)37-22(3)10-7-8-15-36-26(20)17-29-4/h12-13,16,20-22,26,29,33H,7-11,14-15,17-19H2,1-6H3,(H,30,34)/t20-,21-,22-,26+/m0/s1
InChIKey	SBFFLWUBRLNFSF-OYSWMMLKSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:117771) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:117771) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-29220	LINCS