[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NCC=C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[C@@H](C(=O)O[C@@H](C)C(=O)NCC=C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H30N2O4/c1-4-5-21-17(23)13(3)26-18(24)12(2)22-19(25)20-9-14-6-15(10-20)8-16(7-14)11-20/h4,12-16H,1,5-11H2,2-3H3,(H,21,23)(H,22,25)/t12-,13-,14?,15?,16?,20?/m0/s1