[(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2S)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1S)-2-(3-methoxyanilino)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1S)-2-keto-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O5/c1-14(25-23(29)24-11-16-7-17(12-24)9-18(8-16)13-24)22(28)31-15(2)21(27)26-19-5-4-6-20(10-19)30-3/h4-6,10,14-18H,7-9,11-13H2,1-3H3,(H,25,29)(H,26,27)/t14-,15-,16?,17?,18?,24?/m0/s1