(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112476)

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CHEBI:112476 - (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

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ChEBI ID	CHEBI:112476
ChEBI Name	(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-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]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCN2C
InChI	InChI=1S/C26H40N6O4/c1-19-14-31(20(2)17-33)26(34)6-5-9-32-22(13-27-28-32)18-36-25(19)16-29(3)15-21-7-8-23-24(12-21)35-11-10-30(23)4/h7-8,12-13,19-20,25,33H,5-6,9-11,14-18H2,1-4H3/t19-,20+,25-/m1/s1
InChIKey	OKVDUKBBVHEMKE-OHUGHZGNSA-N

ChEBI Ontology

Outgoing Relation(s)
	(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112476) is a azamacrocycle (CHEBI:52898)
	(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112476) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23888	LINCS