(2R)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-2-[[(2S)-2-oxidanylpropyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-2-[[(2S)-2-oxidanylpropyl]azaniumyl]butanoate Openeye Name: (2R)-4-(4-ethoxyanilino)-2-[[(2S)-2-hydroxypropyl]ammonio]-4-oxo-butanoate CAS Name: (2R)-4-(4-ethoxyanilino)-2-[[(2S)-2-hydroxypropyl]ammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(4-ethoxyanilino)-2-[[(2S)-2-hydroxypropyl]azaniumyl]-4-oxobutanoate Traditional Name: (2R)-2-[[(2S)-2-hydroxypropyl]ammonio]-4-keto-4-(p-phenetidino)butyrate Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC(C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]C[C@H](C)O

InChI

InChI=1S/C15H22N2O5/c1-3-22-12-6-4-11(5-7-12)17-14(19)8-13(15(20)21)16-9-10(2)18/h4-7,10,13,16,18H,3,8-9H2,1-2H3,(H,17,19)(H,20,21)/t10-,13+/m0/s1