EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96864 - 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-methylcarbamic acid (phenylmethyl) ester

ChEBI IDCHEBI:96864
ChEBI NameN-[[(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-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)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)OCc1ccccc1
InChIInChI=1S/C24H35N5O5/c1-18-12-29(19(2)15-30)23(31)10-7-11-28-13-21(25-26-28)17-33-22(18)14-27(3)24(32)34-16-20-8-5-4-6-9-20/h4-6,8-9,13,18-19,22,30H,7,10-12,14-17H2,1-3H3/t18-,19-,22-/m0/s1
InChIKeySTPKXVJXGDPGFM-IPJJNNNSSA-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-methylcarbamic acid (phenylmethyl) ester (CHEBI:96864) 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-methylcarbamic acid (phenylmethyl) ester (CHEBI:96864) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8243LINCS