(2S)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2S)-4-[(2-cyanophenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2S)-4-(2-cyanoanilino)-4-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2S)-4-(2-cyanoanilino)-4-oxo-2-[[(2R)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2S)-4-(2-cyanoanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2S)-4-(2-cyanoanilino)-4-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]C(CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)C[NH2+][C@@H](CC(=O)NC2=CC=CC=C2C#N)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c17-9-11-4-1-2-6-13(11)19-15(20)8-14(16(21)22)18-10-12-5-3-7-23-12/h1-2,4,6,12,14,18H,3,5,7-8,10H2,(H,19,20)(H,21,22)/t12-,14+/m1/s1