2-[[4-methyl-2-(4-phenylpiperazin-1-yl)pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-methyl-2-(4-phenylpiperazin-1-yl)pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-methyl-2-(4-phenylpiperazin-1-yl)pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-methyl-1-oxo-2-(4-phenyl-1-piperazinyl)pentyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-methyl-2-(4-phenylpiperazin-1-yl)pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-methyl-2-(4-phenylpiperazino)pentanoyl]amino]-3-phenyl-propionic acid Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-19(2)17-23(28-15-13-27(14-16-28)21-11-7-4-8-12-21)24(29)26-22(25(30)31)18-20-9-5-3-6-10-20/h3-12,19,22-23H,13-18H2,1-2H3,(H,26,29)(H,30,31)