2-[4-[(4-carbamimidoylphenyl)amino]-2,3-bis(oxidanylidene)piperazin-1-yl]-2-methyl-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-[4-[(4-carbamimidoylphenyl)amino]-2,3-bis(oxidanylidene)piperazin-1-yl]-2-methyl-6-oxidanylidene-hexanoic acid Openeye Name: 2-[4-(4-carbamimidoylanilino)-2,3-dioxo-piperazin-1-yl]-2-methyl-6-oxo-hexanoic acid CAS Name: 2-[4-(4-carbamimidoylanilino)-2,3-dioxo-1-piperazinyl]-2-methyl-6-oxohexanoic acid IUPAC Name: 2-[4-(4-carbamimidoylanilino)-2,3-dioxopiperazin-1-yl]-2-methyl-6-oxohexanoic acid Traditional Name: 2-[4-(4-amidinoanilino)-2,3-diketo-piperazino]-6-keto-2-methyl-hexanoic acid Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=O)(C(=O)O)N1CCN(C(=O)C1=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CCCC=O)(C(=O)O)N1CCN(C(=O)C1=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H23N5O5/c1-18(17(27)28,8-2-3-11-24)22-9-10-23(16(26)15(22)25)21-13-6-4-12(5-7-13)14(19)20/h4-7,11,21H,2-3,8-10H2,1H3,(H3,19,20)(H,27,28)