[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H32N2O4/c1-3-4-21-19(25)13(2)26-18(24)12-22-17(23)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h13-16H,3-12H2,1-2H3,(H,21,25)(H,22,23)/t13-,14?,15?,16?,20?/m0/s1