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

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

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O4/c1-5-14(4)18(20(28)29)24-21(30)23-15-6-7-17(16(22)12-15)25-8-10-26(11-9-25)19(27)13(2)3/h6-7,12-14,18H,5,8-11H2,1-4H3,(H,28,29)(H2,23,24,30)