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

Systemtic Name: (2S)-2-benzamido-5-[4-(2-methylpropyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-(4-isobutylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: (2S)-2-benzamido-5-[4-(2-methylpropyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-[4-(2-methylpropyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-(4-isobutylpiperazino)-5-keto-valeric acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CN1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H29N3O4/c1-15(2)14-22-10-12-23(13-11-22)18(24)9-8-17(20(26)27)21-19(25)16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,21,25)(H,26,27)/t17-/m0/s1