[2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1CCCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H32N2O4/c1-15(21(27)28-14-19(25)24-18-8-6-5-7-9-18)23-20(26)16-10-12-17(13-11-16)22(2,3)4/h10-13,15,18H,5-9,14H2,1-4H3,(H,23,26)(H,24,25)/t15-/m0/s1