3-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]pentanoic acid Openeye Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methyl-pentanoic acid CAS Name: 3-methyl-2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]pentanoic acid IUPAC Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methylpentanoic acid Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-3-methyl-valeric acid Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)N1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O3/c1-3-14(2)16(17(22)23)19-18(24)21-11-9-20(10-12-21)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,19,24)(H,22,23)