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

Systemtic Name: 4-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]pentanoic acid CAS Name: 4-methyl-2-[[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]pentanoic acid Traditional Name: 2-[[4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-4-methyl-valeric acid Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c1-14(2)13-18(20(27)28)23-21(29)22-16-5-7-17(8-6-16)24-9-11-25(12-10-24)19(26)15(3)4/h5-8,14-15,18H,9-13H2,1-4H3,(H,27,28)(H2,22,23,29)