3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[5-(4-carbamimidoylphenyl)-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]propanoic acid Traditional Name: 3-[5-(4-amidinophenyl)pentanoylamino]-3-(1,3-benzodioxol-5-yl)propionic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)CCCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N3O5/c23-22(24)15-7-5-14(6-8-15)3-1-2-4-20(26)25-17(12-21(27)28)16-9-10-18-19(11-16)30-13-29-18/h5-11,17H,1-4,12-13H2,(H3,23,24)(H,25,26)(H,27,28)