3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-cyclohexyl-propanoic acid

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-cyclohexyl-propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxo-piperazin-1-yl]-3-cyclohexyl-propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxo-1-piperazinyl]-3-cyclohexylpropanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxopiperazin-1-yl]-3-cyclohexylpropanoic acid Traditional Name: 3-[4-[4-(4-amidinophenoxy)butyl]-2,3-diketo-piperazino]-3-cyclohexyl-propionic acid Formula: C24H34N4O5 MolecularWeight: 458.55056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(=O)O)N2CCN(C(=O)C2=O)CCCCOC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(CC1)C(CC(=O)O)N2CCN(C(=O)C2=O)CCCCOC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H34N4O5/c25-22(26)18-8-10-19(11-9-18)33-15-5-4-12-27-13-14-28(24(32)23(27)31)20(16-21(29)30)17-6-2-1-3-7-17/h8-11,17,20H,1-7,12-16H2,(H3,25,26)(H,29,30)