(2R)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-2-[[(2R)-2-oxidanylpropyl]azaniumyl]butanoate

Systemtic Name: (2R)-4-[(3-hydroxyphenyl)amino]-4-oxidanylidene-2-[[(2R)-2-oxidanylpropyl]azaniumyl]butanoate Openeye Name: (2R)-4-(3-hydroxyanilino)-2-[[(2R)-2-hydroxypropyl]ammonio]-4-oxo-butanoate CAS Name: (2R)-4-(3-hydroxyanilino)-2-[[(2R)-2-hydroxypropyl]ammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(3-hydroxyanilino)-2-[[(2R)-2-hydroxypropyl]azaniumyl]-4-oxobutanoate Traditional Name: (2R)-4-(3-hydroxyanilino)-2-[[(2R)-2-hydroxypropyl]ammonio]-4-keto-butyrate Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]C(CC(=O)NC1=CC(=CC=C1)O)C(=O)[O-])O

Isomeric SMILES

C[C@H](C[NH2+][C@H](CC(=O)NC1=CC(=CC=C1)O)C(=O)[O-])O

InChI

InChI=1S/C13H18N2O5/c1-8(16)7-14-11(13(19)20)6-12(18)15-9-3-2-4-10(17)5-9/h2-5,8,11,14,16-17H,6-7H2,1H3,(H,15,18)(H,19,20)/t8-,11-/m1/s1