2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-ethyl-amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-ethyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-ethyl-amino]acetic acid CAS Name: 2-[[(E)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-ethylamino]acetic acid IUPAC Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-ethylamino]acetic acid Traditional Name: 2-[[(E)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]-ethyl-amino]acetic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C(=O)C(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C

Isomeric SMILES

CCN(CC(=O)O)C(=O)/C(=C/C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C

InChI

InChI=1S/C22H23N3O5/c1-3-25(13-19(26)27)21(28)14(2)12-15-4-6-17(7-5-15)22(29)30-18-10-8-16(9-11-18)20(23)24/h4-12H,3,13H2,1-2H3,(H3,23,24)(H,26,27)/b14-12+