[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4/c1-15(25-22(29)26-19-5-3-2-4-6-19)21(28)30-13-20(27)24-14-23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,15-18H,7-14H2,1H3,(H,24,27)(H2,25,26,29)/t15-,16?,17?,18?,23?/m0/s1