2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-3-phenyl-propionic acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H30N4O4/c1-17(2)22(29)28-14-12-27(13-15-28)20-10-8-19(9-11-20)25-24(32)26-21(23(30)31)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H,30,31)(H2,25,26,32)