2-[4-[2-[[4-(2-azanylethyl)phenyl]carbonylamino]ethanoyl]-3-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[[4-(2-azanylethyl)phenyl]carbonylamino]ethanoyl]-3-[3-[(4-carbamimidoylphenyl)carbonylamino]propyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[[4-(2-aminoethyl)benzoyl]amino]acetyl]-3-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[[4-(2-aminoethyl)phenyl]-oxomethyl]amino]-1-oxoethyl]-3-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]propyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[[4-(2-aminoethyl)benzoyl]amino]acetyl]-3-[3-[(4-carbamimidoylbenzoyl)amino]propyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[3-[3-[(4-amidinobenzoyl)amino]propyl]-4-[2-[[4-(2-aminoethyl)benzoyl]amino]acetyl]-2-keto-piperazino]acetic acid Formula: C28H35N7O6 MolecularWeight: 565.6208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)CCCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)CNC(=O)C3=CC=C(C=C3)CCN

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)CCCNC(=O)C2=CC=C(C=C2)C(=N)N)C(=O)CNC(=O)C3=CC=C(C=C3)CCN

InChI

InChI=1S/C28H35N7O6/c29-12-11-18-3-5-20(6-4-18)27(40)33-16-23(36)35-15-14-34(17-24(37)38)28(41)22(35)2-1-13-32-26(39)21-9-7-19(8-10-21)25(30)31/h3-10,22H,1-2,11-17,29H2,(H3,30,31)(H,32,39)(H,33,40)(H,37,38)