(2S)-4-[(4-methoxyphenyl)amino]-2-[2-(5-methyl-1H-indol-3-yl)ethylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(4-methoxyphenyl)amino]-2-[2-(5-methyl-1H-indol-3-yl)ethylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-methoxyanilino)-2-[2-(5-methyl-1H-indol-3-yl)ethylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(4-methoxyanilino)-2-[2-(5-methyl-1H-indol-3-yl)ethylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-methoxyanilino)-2-[2-(5-methyl-1H-indol-3-yl)ethylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-keto-2-[2-(5-methyl-1H-indol-3-yl)ethylammonio]-4-(p-anisidino)butyrate Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC[NH2+]C(CC(=O)NC3=CC=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CC[NH2+][C@@H](CC(=O)NC3=CC=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-14-3-8-19-18(11-14)15(13-24-19)9-10-23-20(22(27)28)12-21(26)25-16-4-6-17(29-2)7-5-16/h3-8,11,13,20,23-24H,9-10,12H2,1-2H3,(H,25,26)(H,27,28)/t20-/m0/s1