[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-15(21(27)29-14-20(26)24-13-16-5-3-2-4-6-16)25-22(28)23-10-17-7-18(11-23)9-19(8-17)12-23/h2-6,15,17-19H,7-14H2,1H3,(H,24,26)(H,25,28)/t15-,17?,18?,19?,23?/m0/s1