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

Systemtic Name: 2-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamoylamino]-4-methylpentanoic acid Traditional Name: 2-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]carbamoylamino]-4-methyl-valeric acid Formula: C21H31ClN4O4 MolecularWeight: 438.94824

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O4/c1-13(2)11-17(20(28)29)24-21(30)23-15-5-6-18(16(22)12-15)25-7-9-26(10-8-25)19(27)14(3)4/h5-6,12-14,17H,7-11H2,1-4H3,(H,28,29)(H2,23,24,30)