(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:113289)

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CHEBI:113289 - (8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

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ChEBI ID	CHEBI:113289
ChEBI Name	(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
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Downloads	Molfile

Formula	C26H40N6O4
Net Charge	0
Average Mass	500.644
Monoisotopic Mass	500.31110
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCCN3C)OCc2cn(nn2)CCCC1=O
InChI	InChI=1S/C26H40N6O4/c1-19-13-32(20(2)17-33)26(34)6-5-9-31-15-22(27-28-31)18-36-25(19)16-29(3)14-21-7-8-23-24(12-21)35-11-10-30(23)4/h7-8,12,15,19-20,25,33H,5-6,9-11,13-14,16-18H2,1-4H3/t19-,20+,25+/m0/s1
InChIKey	VRVGAAPGNIASDT-WZOHSFFVSA-N

ChEBI Ontology

Outgoing Relation(s)
	(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:113289) is a azamacrocycle (CHEBI:52898)
	(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:113289) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-24700	LINCS