[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: (5S,7R)-3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: (5S,7R)-3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)NC5CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)NC5CCCC5)C

InChI

InChI=1S/C27H36N2O4/c1-17-7-8-21(9-18(17)2)26-11-19-10-20(12-26)14-27(13-19,16-26)24(31)33-15-23(30)29-25(32)28-22-5-3-4-6-22/h7-9,19-20,22H,3-6,10-16H2,1-2H3,(H2,28,29,30,32)/t19-,20+,26?,27?