(2S)-2-benzamido-5-(4-butan-2-ylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-benzamido-5-(4-butan-2-ylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-benzamido-5-oxo-5-(4-sec-butylpiperazin-1-yl)pentanoic acid CAS Name: (2S)-2-benzamido-5-(4-butan-2-yl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: (2S)-2-benzamido-5-(4-butan-2-ylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: (2S)-2-benzamido-5-keto-5-(4-sec-butylpiperazino)valeric acid Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)CCC(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)CC[C@@H](C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H29N3O4/c1-3-15(2)22-11-13-23(14-12-22)18(24)10-9-17(20(26)27)21-19(25)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3,(H,21,25)(H,26,27)/t15?,17-/m0/s1