2-[2,3-bis(oxidanylidene)piperazin-1-yl]-4-[(4-carbamimidoylphenyl)carbonylamino]butanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-4-[(4-carbamimidoylphenyl)carbonylamino]butanoic acid Openeye Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)butanoic acid CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-(2,3-dioxo-1-piperazinyl)butanoic acid IUPAC Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)butanoic acid Traditional Name: 4-[(4-amidinobenzoyl)amino]-2-(2,3-diketopiperazino)butyric acid Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1)C(CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1)C(CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C16H19N5O5/c17-12(18)9-1-3-10(4-2-9)13(22)19-6-5-11(16(25)26)21-8-7-20-14(23)15(21)24/h1-4,11H,5-8H2,(H3,17,18)(H,19,22)(H,20,23)(H,25,26)