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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c23-21(28)24-18(9-14-4-2-1-3-5-14)20(27)29-13-19(26)25-22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,15-18H,6-13H2,(H,25,26)(H3,23,24,28)/t15?,16?,17?,18-,22?/m0/s1