N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:110981)

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CHEBI:110981 - N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide

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ChEBI ID	CHEBI:110981
ChEBI Name	N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide
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Downloads	Molfile

Formula	C32H47N3O5
Net Charge	0
Average Mass	553.744
Monoisotopic Mass	553.35157
SMILES	CCCN(C)C[C@H]1OCCCC[C@@H](C)Oc2ccc(NC(=O)c3ccccc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C32H47N3O5/c1-6-17-34(5)21-30-23(2)20-35(24(3)22-36)32(38)28-19-27(33-31(37)26-13-8-7-9-14-26)15-16-29(28)40-25(4)12-10-11-18-39-30/h7-9,13-16,19,23-25,30,36H,6,10-12,17-18,20-22H2,1-5H3,(H,33,37)/t23-,24+,25-,30-/m1/s1
InChIKey	DPWBPPWCHVQSHF-FJRSXGRASA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:110981) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide (CHEBI:110981) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22425	LINCS