[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxobutanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H27ClN2O5 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C(CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)[C@H](CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN2O5/c24-17-3-1-16(2-4-17)21(29)26-18(8-20(25)28)22(30)31-12-19(27)23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,13-15,18H,5-12H2,(H2,25,28)(H,26,29)/t13?,14?,15?,18-,23?/m0/s1