(2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (2-anilino-2-oxo-ethyl) (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid (2-anilino-2-keto-ethyl) ester Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28N2O4/c1-14(20(26)28-13-19(25)24-18-5-3-2-4-6-18)23-21(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,14-17H,7-13H2,1H3,(H,23,27)(H,24,25)/t14-,15?,16?,17?,22?/m0/s1