CHEBI:96134 - N-[[(8R,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 (4-methylphenyl) ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(8R,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 (4-methylphenyl) ester
ChEBI ID CHEBI:96134
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H35N5O5
Net Charge 0
Average Mass 473.566
Monoisotopic Mass 473.26382
InChI InChI=1S/C24H35N5O5/c1-17-7-9-21(10-8-17)34-24(32)27(4)14-22-18(2)12-29(19(3)15-30)23(31)6-5-11-28-13-20(16-33-22)25-26-28/h7-10,13,18-19,22,30H,5-6,11-12,14-16H2,1-4H3/t18-,19+,22-/m1/s1
InChIKey VOGIWUFDXLFNKS-XQBPLPMBSA-N
SMILES C[C@@H]1CN(C(=O)CCCN2C=C(CO[C@@H]1CN(C)C(=O)OC3=CC=C(C=C3)C)N=N2)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(8R,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 (4-methylphenyl) ester (CHEBI:96134) is a azamacrocycle (CHEBI:52898)
N-[[(8R,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 (4-methylphenyl) ester (CHEBI:96134) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-7513 LINCS
View more database links