methyl (2S)-5-[(3-cyanophenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-5-[(3-cyanophenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-5-(3-cyanoanilino)-5-oxo-pentanoate CAS Name: (2S)-5-(3-cyanoanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(3-cyanoanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(3-cyanoanilino)-5-keto-valeric acid methyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC1=CC=CC(=C1)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC1=CC=CC(=C1)C#N)C(=O)OC

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)21-14(16(23)25-4)8-9-15(22)20-13-7-5-6-12(10-13)11-19/h5-7,10,14H,8-9H2,1-4H3,(H,20,22)(H,21,24)/t14-/m0/s1