(2S)-2-benzamido-5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(2-cyanoethyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(2-cyanoethyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-[4-(2-cyanoethyl)piperazino]-5-keto-valeric acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCC#N)C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H24N4O4/c20-9-4-10-22-11-13-23(14-12-22)17(24)8-7-16(19(26)27)21-18(25)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-8,10-14H2,(H,21,25)(H,26,27)/t16-/m0/s1