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

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-5-[(4-carbamimidoylphenyl)carbonylamino]-2-phenyl-pentanoic acid Openeye Name: 5-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)-2-phenyl-pentanoic acid CAS Name: 5-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-(2,3-dioxo-1-piperazinyl)-2-phenylpentanoic acid IUPAC Name: 5-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)-2-phenylpentanoic acid Traditional Name: 5-[(4-amidinobenzoyl)amino]-2-(2,3-diketopiperazino)-2-phenyl-valeric acid Formula: C23H25N5O5 MolecularWeight: 451.4751

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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)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(C(=O)C(=O)N1)C(CCCNC(=O)C2=CC=C(C=C2)C(=N)N)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25N5O5/c24-18(25)15-7-9-16(10-8-15)19(29)26-12-4-11-23(22(32)33,17-5-2-1-3-6-17)28-14-13-27-20(30)21(28)31/h1-3,5-10H,4,11-14H2,(H3,24,25)(H,26,29)(H,27,30)(H,32,33)