[2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)C(=O)N)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29N3O5/c1-13(25-22(30)23-9-14-6-15(10-23)8-16(7-14)11-23)21(29)31-12-19(27)26-18-4-2-17(3-5-18)20(24)28/h2-5,13-16H,6-12H2,1H3,(H2,24,28)(H,25,30)(H,26,27)/t13-,14?,15?,16?,23?/m0/s1