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

Systemtic Name: 3-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]butanoic acid CAS Name: 3-methyl-2-[[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]butanoic acid Traditional Name: 2-[[4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-3-methyl-butyric acid Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C20H30N4O4/c1-13(2)17(19(26)27)22-20(28)21-15-5-7-16(8-6-15)23-9-11-24(12-10-23)18(25)14(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,26,27)(H2,21,22,28)