N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-(4-methyl-1-piperazinyl)benzamide (CHEBI:112579)

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CHEBI:112579 - N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-(4-methyl-1-piperazinyl)benzamide

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ChEBI ID	CHEBI:112579
ChEBI Name	N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-(4-methyl-1-piperazinyl)benzamide
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Downloads	Molfile

Formula	C28H43N7O4
Net Charge	0
Average Mass	541.697
Monoisotopic Mass	541.33765
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)c1ccc(N2CCN(C)CC2)cc1
InChI	InChI=1S/C28H43N7O4/c1-21-17-34(22(2)19-36)27(37)6-5-11-35-25(16-29-30-35)20-39-26(21)18-32(4)28(38)23-7-9-24(10-8-23)33-14-12-31(3)13-15-33/h7-10,16,21-22,26,36H,5-6,11-15,17-20H2,1-4H3/t21-,22+,26+/m1/s1
InChIKey	MSGDIDWYZNYHQU-UFPGJGBJSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-(4-methyl-1-piperazinyl)benzamide (CHEBI:112579) is a azamacrocycle (CHEBI:52898)
	N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-4-(4-methyl-1-piperazinyl)benzamide (CHEBI:112579) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23989	LINCS