EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96261 - N-[[(8R,9R)-6-[(2S)-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:96261
ChEBI NameN-[[(8R,9R)-6-[(2S)-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]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)C(=O)OCc1ccccc1
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+/m1/s1
InChIKeyDLYGSNKXPRYVCA-DXIQSLLYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,9R)-6-[(2S)-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:96261) is a azamacrocycle (CHEBI:52898)
N-[[(8R,9R)-6-[(2S)-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:96261) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7640LINCS