4-(dimethylamino)-N-[(3S,9R,10S)-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]butanamide (CHEBI:103526)

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CHEBI:103526 - 4-(dimethylamino)-N-[(3S,9R,10S)-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]butanamide

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ChEBI ID	CHEBI:103526
ChEBI Name	4-(dimethylamino)-N-[(3S,9R,10S)-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]butanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H55N5O6
Net Charge	0
Average Mass	605.821
Monoisotopic Mass	605.41523
SMILES	CC(C)NC(=O)N(C)C[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/C32H55N5O6/c1-22(2)33-32(41)36(8)20-29-23(3)19-37(24(4)21-38)31(40)27-18-26(34-30(39)13-11-16-35(6)7)14-15-28(27)43-25(5)12-9-10-17-42-29/h14-15,18,22-25,29,38H,9-13,16-17,19-21H2,1-8H3,(H,33,41)(H,34,39)/t23-,24+,25-,29-/m0/s1
InChIKey	SUHZFPHQAJGSMY-JLMYGFKKSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[(3S,9R,10S)-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]butanamide (CHEBI:103526) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[(3S,9R,10S)-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]butanamide (CHEBI:103526) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-14870	LINCS