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

Systemtic Name: 2-[4-[(4-carbamimidoylphenyl)amino]-2,3-bis(oxidanylidene)piperazin-1-yl]-6-oxidanylidene-hexanoic acid Openeye Name: 2-[4-(4-carbamimidoylanilino)-2,3-dioxo-piperazin-1-yl]-6-oxo-hexanoic acid CAS Name: 2-[4-(4-carbamimidoylanilino)-2,3-dioxo-1-piperazinyl]-6-oxohexanoic acid IUPAC Name: 2-[4-(4-carbamimidoylanilino)-2,3-dioxopiperazin-1-yl]-6-oxohexanoic acid Traditional Name: 2-[4-(4-amidinoanilino)-2,3-diketo-piperazino]-6-keto-hexanoic acid Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1C(CCCC=O)C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)C(=O)N1C(CCCC=O)C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O5/c18-14(19)11-4-6-12(7-5-11)20-22-9-8-21(15(24)16(22)25)13(17(26)27)3-1-2-10-23/h4-7,10,13,20H,1-3,8-9H2,(H3,18,19)(H,26,27)