N-[(3S,9R,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]-2-phenylacetamide (CHEBI:126329)

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CHEBI:126329 - N-[(3S,9R,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]-2-phenylacetamide

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ChEBI ID	CHEBI:126329
ChEBI Name	N-[(3S,9R,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]-2-phenylacetamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H54N4O6
Net Charge	0
Average Mass	650.861
Monoisotopic Mass	650.40434
SMILES	C[C@H]1CCCCO[C@@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3ccccc3)ccc2O1
InChI	InChI=1S/C37H54N4O6/c1-26-23-41(27(2)25-42)36(44)32-22-31(38-35(43)21-29-14-7-5-8-15-29)18-19-33(32)47-28(3)13-11-12-20-46-34(26)24-40(4)37(45)39-30-16-9-6-10-17-30/h5,7-8,14-15,18-19,22,26-28,30,34,42H,6,9-13,16-17,20-21,23-25H2,1-4H3,(H,38,43)(H,39,45)/t26-,27-,28-,34-/m0/s1
InChIKey	AKXNFALRDHHLHC-NWWIOOOSSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]-2-phenylacetamide (CHEBI:126329) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-12-[(2S)-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]-2-phenylacetamide (CHEBI:126329) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-37895	LINCS