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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]propionic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1CCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1CCCC1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H30N2O4/c1-14(20(26)27-13-18(24)23-17-7-5-6-8-17)22-19(25)15-9-11-16(12-10-15)21(2,3)4/h9-12,14,17H,5-8,13H2,1-4H3,(H,22,25)(H,23,24)/t14-/m0/s1