N-[[(8S,9S)-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-methylcarbamic acid 1-naphthalenyl ester (CHEBI:112581)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:112581 - N-[[(8S,9S)-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-methylcarbamic acid 1-naphthalenyl ester

Take structure to advanced search

ChEBI ID	CHEBI:112581
ChEBI Name	N-[[(8S,9S)-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-methylcarbamic acid 1-naphthalenyl ester
Stars
Downloads	Molfile

Formula	C27H35N5O5
Net Charge	0
Average Mass	509.607
Monoisotopic Mass	509.26382
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)C(=O)Oc1cccc2ccccc12
InChI	InChI=1S/C27H35N5O5/c1-19-14-32(20(2)17-33)26(34)12-7-13-31-15-22(28-29-31)18-36-25(19)16-30(3)27(35)37-24-11-6-9-21-8-4-5-10-23(21)24/h4-6,8-11,15,19-20,25,33H,7,12-14,16-18H2,1-3H3/t19-,20-,25+/m0/s1
InChIKey	SUQKGVARFDJMIR-ZYLNGJIFSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(8S,9S)-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-methylcarbamic acid 1-naphthalenyl ester (CHEBI:112581) is a azamacrocycle (CHEBI:52898)
	N-[[(8S,9S)-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-methylcarbamic acid 1-naphthalenyl ester (CHEBI:112581) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-23991	LINCS