[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O4/c1-14-5-4-6-20(7-14)22(28)25-15(2)23(29)30-16(3)21(27)26-24-11-17-8-18(12-24)10-19(9-17)13-24/h4-7,15-19H,8-13H2,1-3H3,(H,25,28)(H,26,27)/t15-,16+,17?,18?,19?,24?/m0/s1