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

Systemtic Name: 3-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]pentanoic acid CAS Name: 3-methyl-2-[[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]pentanoic acid Traditional Name: 2-[[4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-3-methyl-valeric acid Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O4/c1-5-15(4)18(20(27)28)23-21(29)22-16-6-8-17(9-7-16)24-10-12-25(13-11-24)19(26)14(2)3/h6-9,14-15,18H,5,10-13H2,1-4H3,(H,27,28)(H2,22,23,29)