(2R)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(3-hydroxyanilino)-4-oxo-2-[[(2S)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(3-hydroxyanilino)-4-oxo-2-[[(2S)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(3-hydroxyanilino)-4-oxo-2-[[(2S)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-(3-hydroxyanilino)-4-keto-2-[[(2S)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]C(CC(=O)NC2=CC(=CC=C2)O)C(=O)[O-]

Isomeric SMILES

C1C[C@H](OC1)C[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)O)C(=O)[O-]

InChI

InChI=1S/C15H20N2O5/c18-11-4-1-3-10(7-11)17-14(19)8-13(15(20)21)16-9-12-5-2-6-22-12/h1,3-4,7,12-13,16,18H,2,5-6,8-9H2,(H,17,19)(H,20,21)/t12-,13+/m0/s1