(2S)-2-(6-azanylhexylamino)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-(6-azanylhexylamino)-4-[(4-methoxyphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-2-(6-aminohexylamino)-4-(4-methoxyanilino)-4-oxo-butanoic acid CAS Name: (2S)-2-(6-aminohexylamino)-4-(4-methoxyanilino)-4-oxobutanoic acid IUPAC Name: (2S)-2-(6-aminohexylamino)-4-(4-methoxyanilino)-4-oxobutanoic acid Traditional Name: (2S)-2-(6-aminohexylamino)-4-keto-4-(p-anisidino)butyric acid Formula: C17H27N3O4 MolecularWeight: 337.41398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCCCCCCN

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[C@@H](C(=O)O)NCCCCCCN

InChI

InChI=1S/C17H27N3O4/c1-24-14-8-6-13(7-9-14)20-16(21)12-15(17(22)23)19-11-5-3-2-4-10-18/h6-9,15,19H,2-5,10-12,18H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1