2-[3-[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butyl]-4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butyl]-4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-[4-(4-carbamimidoylanilino)-4-oxo-butyl]-4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-[4-(4-carbamimidoylanilino)-4-oxobutyl]-4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxoethyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-[4-(4-carbamimidoylanilino)-4-oxobutyl]-4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[3-[4-(4-amidinoanilino)-4-keto-butyl]-4-[2-[(4-amidinobenzoyl)amino]acetyl]-2-keto-piperazino]acetic acid Formula: C27H32N8O6 MolecularWeight: 564.59298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)CCCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)CNC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)CCCC(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)CNC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H32N8O6/c28-24(29)16-4-6-18(7-5-16)26(40)32-14-22(37)35-13-12-34(15-23(38)39)27(41)20(35)2-1-3-21(36)33-19-10-8-17(9-11-19)25(30)31/h4-11,20H,1-3,12-15H2,(H3,28,29)(H3,30,31)(H,32,40)(H,33,36)(H,38,39)