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

Systemtic Name: 2-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]propanoic acid Openeye Name: 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]propanoic acid CAS Name: 2-[[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]propanoic acid Traditional Name: 2-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]propionic acid Formula: C18H25ClN4O4 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O4/c1-11(2)16(24)23-8-6-22(7-9-23)15-5-4-13(10-14(15)19)21-18(27)20-12(3)17(25)26/h4-5,10-12H,6-9H2,1-3H3,(H,25,26)(H2,20,21,27)