[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] (2S)-1-(1-adamantylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-adamantyl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid [2-[[(3,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (2S)-1-(adamantane-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylate Traditional Name: (2S)-1-(adamantane-1-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [2-[(3,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)C2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)COC(=O)[C@@H]2CC(CN2C(=O)C34CC5CC(C3)CC(C5)C4)O)C

InChI

InChI=1S/C27H35N3O6/c1-15-3-4-20(5-16(15)2)28-26(35)29-23(32)14-36-24(33)22-9-21(31)13-30(22)25(34)27-10-17-6-18(11-27)8-19(7-17)12-27/h3-5,17-19,21-22,31H,6-14H2,1-2H3,(H2,28,29,32,35)/t17?,18?,19?,21?,22-,27?/m0/s1