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

Systemtic Name: (2R)-4-[(4-ethylphenyl)amino]-4-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Openeye Name: (2R)-4-(4-ethylanilino)-4-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butanoate CAS Name: (2R)-4-(4-ethylanilino)-4-oxo-2-[[(2R)-2-oxolanyl]methylammonio]butanoate IUPAC Name: (2R)-4-(4-ethylanilino)-4-oxo-2-[[(2R)-oxolan-2-yl]methylazaniumyl]butanoate Traditional Name: (2R)-4-(4-ethylanilino)-4-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylammonio]butyrate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2CCCO2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@H]2CCCO2

InChI

InChI=1S/C17H24N2O4/c1-2-12-5-7-13(8-6-12)19-16(20)10-15(17(21)22)18-11-14-4-3-9-23-14/h5-8,14-15,18H,2-4,9-11H2,1H3,(H,19,20)(H,21,22)/t14-,15-/m1/s1