N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide (CHEBI:96150)

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CHEBI:96150 - N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide

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ChEBI ID	CHEBI:96150
ChEBI Name	N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide
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Downloads	Molfile

Formula	C26H36N6O4
Net Charge	0
Average Mass	496.612
Monoisotopic Mass	496.27980
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)c1ccc2ccn(C)c2c1
InChI	InChI=1S/C26H36N6O4/c1-18-13-32(19(2)16-33)25(34)6-5-10-31-14-22(27-28-31)17-36-24(18)15-30(4)26(35)21-8-7-20-9-11-29(3)23(20)12-21/h7-9,11-12,14,18-19,24,33H,5-6,10,13,15-17H2,1-4H3/t18-,19-,24-/m0/s1
InChIKey	BWTMYHAPSQQINJ-JXQFQVJHSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide (CHEBI:96150) is a azamacrocycle (CHEBI:52898)
	N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N,1-dimethyl-6-indolecarboxamide (CHEBI:96150) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-7529	LINCS