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

Systemtic Name: 2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]propanoic acid Openeye Name: 2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]propanoic acid CAS Name: 2-[[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]propanoic acid Traditional Name: 2-[[4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]propionic acid Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4/c1-12(2)16(23)22-10-8-21(9-11-22)15-6-4-14(5-7-15)20-18(26)19-13(3)17(24)25/h4-7,12-13H,8-11H2,1-3H3,(H,24,25)(H2,19,20,26)