N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:103570)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:103570 - N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:103570
ChEBI Name	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H54N4O6
Net Charge	0
Average Mass	602.817
Monoisotopic Mass	602.40434
SMILES	CC(C)NC(=O)N(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/C33H54N4O6/c1-22(2)34-33(41)36(6)20-30-23(3)19-37(24(4)21-38)32(40)28-18-27(35-31(39)26-13-8-7-9-14-26)15-16-29(28)43-25(5)12-10-11-17-42-30/h15-16,18,22-26,30,38H,7-14,17,19-21H2,1-6H3,(H,34,41)(H,35,39)/t23-,24-,25+,30-/m1/s1
InChIKey	PLFJTCJSGHSPAZ-ZASNTINBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:103570) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide (CHEBI:103570) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14914	LINCS