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

Systemtic Name: 2-[2,3-bis(oxidanylidene)piperazin-1-yl]-4-[(4-carbamimidoylphenyl)carbonylamino]-2-ethyl-butanoic acid Openeye Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)-2-ethyl-butanoic acid CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-(2,3-dioxo-1-piperazinyl)-2-ethylbutanoic acid IUPAC Name: 4-[(4-carbamimidoylbenzoyl)amino]-2-(2,3-dioxopiperazin-1-yl)-2-ethylbutanoic acid Traditional Name: 4-[(4-amidinobenzoyl)amino]-2-(2,3-diketopiperazino)-2-ethyl-butyric acid Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCNC(=O)C1=CC=C(C=C1)C(=N)N)(C(=O)O)N2CCNC(=O)C2=O

Isomeric SMILES

CCC(CCNC(=O)C1=CC=C(C=C1)C(=N)N)(C(=O)O)N2CCNC(=O)C2=O

InChI

InChI=1S/C18H23N5O5/c1-2-18(17(27)28,23-10-9-22-15(25)16(23)26)7-8-21-14(24)12-5-3-11(4-6-12)13(19)20/h3-6H,2,7-10H2,1H3,(H3,19,20)(H,21,24)(H,22,25)(H,27,28)