[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C(CC4=CC=CC=C4)NC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)[C@H](CC4=CC=CC=C4)NC(=O)N

InChI

InChI=1S/C23H31N3O4/c24-22(29)26-19(9-15-4-2-1-3-5-15)21(28)30-13-20(27)25-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h1-5,16-19H,6-14H2,(H,25,27)(H3,24,26,29)/t16?,17?,18?,19-,23?/m0/s1