(2S)-2-azanyl-5-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(2,5-dimethoxyphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(2,5-dimethoxyphenyl)piperazino]-5-keto-valeric acid Formula: C17H25N3O5 MolecularWeight: 351.3975

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)CCC(C(=O)O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C17H25N3O5/c1-24-12-3-5-15(25-2)14(11-12)19-7-9-20(10-8-19)16(21)6-4-13(18)17(22)23/h3,5,11,13H,4,6-10,18H2,1-2H3,(H,22,23)/t13-/m0/s1