[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C25H33ClN2O4 MolecularWeight: 460.99352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H33ClN2O4/c1-15(2)22(28-23(30)19-3-5-20(26)6-4-19)24(31)32-13-21(29)27-14-25-10-16-7-17(11-25)9-18(8-16)12-25/h3-6,15-18,22H,7-14H2,1-2H3,(H,27,29)(H,28,30)/t16?,17?,18?,22-,25?/m0/s1