2-[2,3-bis(oxidanylidene)piperazin-1-yl]-5-[(4-carbamimidoylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-5-[(4-carbamimidoylphenyl)carbonylamino]pentanoic acid Openeye Name: 5-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)pentanoic acid CAS Name: 5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-(2,3-dioxo-1-piperazinyl)pentanoic acid IUPAC Name: 5-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)pentanoic acid Traditional Name: 5-[(4-amidinobenzoyl)amino]-2-(2,3-diketopiperazino)valeric acid Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c18-13(19)10-3-5-11(6-4-10)14(23)20-7-1-2-12(17(26)27)22-9-8-21-15(24)16(22)25/h3-6,12H,1-2,7-9H2,(H3,18,19)(H,20,23)(H,21,24)(H,26,27)