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

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-5-[(4-carbamimidoylphenyl)sulfonylamino]-2-methyl-pentanoic acid Openeye Name: 5-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxopiperazin-1-yl)-2-methyl-pentanoic acid CAS Name: 5-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxo-1-piperazinyl)-2-methylpentanoic acid IUPAC Name: 5-[(4-carbamimidoylphenyl)sulfonylamino]-2-(2,3-dioxopiperazin-1-yl)-2-methylpentanoic acid Traditional Name: 5-[(4-amidinophenyl)sulfonylamino]-2-(2,3-diketopiperazino)-2-methyl-valeric acid Formula: C17H23N5O6S MolecularWeight: 425.45942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNS(=O)(=O)C1=CC=C(C=C1)C(=N)N)(C(=O)O)N2CCNC(=O)C2=O

Isomeric SMILES

CC(CCCNS(=O)(=O)C1=CC=C(C=C1)C(=N)N)(C(=O)O)N2CCNC(=O)C2=O

InChI

InChI=1S/C17H23N5O6S/c1-17(16(25)26,22-10-9-20-14(23)15(22)24)7-2-8-21-29(27,28)12-5-3-11(4-6-12)13(18)19/h3-6,21H,2,7-10H2,1H3,(H3,18,19)(H,20,23)(H,25,26)