N-[[(8R,9S)-6-[(2R)-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-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide (CHEBI:127042)

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CHEBI:127042 - N-[[(8R,9S)-6-[(2R)-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-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide

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ChEBI ID	CHEBI:127042
ChEBI Name	N-[[(8R,9S)-6-[(2R)-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-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide
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Downloads	Molfile

Formula	C25H37N5O7S
Net Charge	0
Average Mass	551.666
Monoisotopic Mass	551.24137
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)S(=O)(=O)c1ccc2c(c1)OCCCO2
InChI	InChI=1S/C25H37N5O7S/c1-18-14-29(19(2)16-31)25(32)6-4-9-30-20(13-26-27-30)17-37-24(18)15-28(3)38(33,34)21-7-8-22-23(12-21)36-11-5-10-35-22/h7-8,12-13,18-19,24,31H,4-6,9-11,14-17H2,1-3H3/t18-,19-,24-/m1/s1
InChIKey	OJWZSZMXEDUVHM-KHCICDEESA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8R,9S)-6-[(2R)-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-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide (CHEBI:127042) is a azamacrocycle (CHEBI:52898)
	N-[[(8R,9S)-6-[(2R)-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-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide (CHEBI:127042) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38605	LINCS