4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104658)

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CHEBI:104658 - 4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-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:104658
ChEBI Name	4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C34H53N5O5
Net Charge	0
Average Mass	611.828
Monoisotopic Mass	611.40467
SMILES	C[C@@H]1CCCCO[C@@H](CN(C)Cc2ccncc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1
InChI	InChI=1S/C34H53N5O5/c1-25-21-39(26(2)24-40)34(42)30-20-29(36-33(41)11-9-18-37(4)5)12-13-31(30)44-27(3)10-7-8-19-43-32(25)23-38(6)22-28-14-16-35-17-15-28/h12-17,20,25-27,32,40H,7-11,18-19,21-24H2,1-6H3,(H,36,41)/t25-,26-,27+,32-/m0/s1
InChIKey	ZCLFEQBFHRMJFK-WASVBOSJSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104658) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:104658) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-16021	LINCS