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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O4/c1-14(23-21(28)24-18-5-3-2-4-6-18)20(27)29-13-19(26)25-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,14-17H,7-13H2,1H3,(H,25,26)(H2,23,24,28)/t14-,15?,16?,17?,22?/m0/s1