(2S)-2-(3-azaniumylpropylazaniumyl)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-2-(3-azaniumylpropylazaniumyl)-4-[(5-chloranyl-2-methoxy-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(3-azaniumylpropylammonio)-4-(5-chloro-2-methoxy-anilino)-4-oxo-butanoate CAS Name: (2S)-2-(3-ammoniopropylammonio)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoate IUPAC Name: (2S)-2-(3-azaniumylpropylazaniumyl)-4-(5-chloro-2-methoxyanilino)-4-oxobutanoate Traditional Name: (2S)-2-(3-ammoniopropylammonio)-4-(5-chloro-2-methoxy-anilino)-4-keto-butyrate Formula: C14H21ClN3O4+ MolecularWeight: 330.78724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[C@@H](C(=O)[O-])[NH2+]CCC[NH3+]

InChI

InChI=1S/C14H20ClN3O4/c1-22-12-4-3-9(15)7-10(12)18-13(19)8-11(14(20)21)17-6-2-5-16/h3-4,7,11,17H,2,5-6,8,16H2,1H3,(H,18,19)(H,20,21)/p+1/t11-/m0/s1