(2R)-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(5-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-2-(3-oxidanylpropylazaniumyl)butanoate Openeye Name: (2R)-4-(5-chloro-2-methyl-anilino)-2-(3-hydroxypropylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(5-chloro-2-methylanilino)-2-(3-hydroxypropylammonio)-4-oxobutanoate IUPAC Name: (2R)-4-(5-chloro-2-methylanilino)-2-(3-hydroxypropylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(5-chloro-2-methyl-anilino)-2-(3-hydroxypropylammonio)-4-keto-butyrate Formula: C14H19ClN2O4 MolecularWeight: 314.76466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCCO

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[C@H](C(=O)[O-])[NH2+]CCCO

InChI

InChI=1S/C14H19ClN2O4/c1-9-3-4-10(15)7-11(9)17-13(19)8-12(14(20)21)16-5-2-6-18/h3-4,7,12,16,18H,2,5-6,8H2,1H3,(H,17,19)(H,20,21)/t12-/m1/s1