(2S)-2-azanyl-5-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-(3,4-dimethylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-(3,4-dimethylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[4-(3,4-dimethylphenyl)piperazino]-5-keto-valeric acid Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)CCC(C(=O)O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N)C

InChI

InChI=1S/C17H25N3O3/c1-12-3-4-14(11-13(12)2)19-7-9-20(10-8-19)16(21)6-5-15(18)17(22)23/h3-4,11,15H,5-10,18H2,1-2H3,(H,22,23)/t15-/m0/s1