[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H38N2O4 MolecularWeight: 418.56952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1CCCCCC1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1CCCCCC1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H38N2O4/c1-15(22(28)30-16(2)21(27)26-20-7-5-3-4-6-8-20)25-23(29)24-12-17-9-18(13-24)11-19(10-17)14-24/h15-20H,3-14H2,1-2H3,(H,25,29)(H,26,27)/t15-,16+,17?,18?,19?,24?/m0/s1