EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113453 - N-[[(8S,9R)-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-methylcarbamic acid (phenylmethyl) ester

ChEBI IDCHEBI:113453
ChEBI NameN-[[(8S,9R)-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-methylcarbamic acid (phenylmethyl) ester
Stars
DownloadsMolfile
FormulaC24H35N5O5
Net Charge0
Average Mass473.574
Monoisotopic Mass473.26382
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)OCc2ccccc2)OCc2cnnn2CCCC1=O
InChIInChI=1S/C24H35N5O5/c1-18-13-28(19(2)15-30)23(31)10-7-11-29-21(12-25-26-29)17-33-22(18)14-27(3)24(32)34-16-20-8-5-4-6-9-20/h4-6,8-9,12,18-19,22,30H,7,10-11,13-17H2,1-3H3/t18-,19+,22-/m0/s1
InChIKeyDLYGSNKXPRYVCA-JQVVWYNYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8S,9R)-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-methylcarbamic acid (phenylmethyl) ester (CHEBI:113453) is a azamacrocycle (CHEBI:52898)
N-[[(8S,9R)-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-methylcarbamic acid (phenylmethyl) ester (CHEBI:113453) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-24861LINCS