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

Systemtic Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]acetic acid CAS Name: 2-[[(E)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-cyclohexylamino]acetic acid IUPAC Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-cyclohexylamino]acetic acid Traditional Name: 2-[[(E)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]-cyclohexyl-amino]acetic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)C(=O)N(CC(=O)O)C3CCCCC3

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N(CC(=O)O)C3CCCCC3

InChI

InChI=1S/C26H29N3O5/c1-17(25(32)29(16-23(30)31)21-5-3-2-4-6-21)15-18-7-9-20(10-8-18)26(33)34-22-13-11-19(12-14-22)24(27)28/h7-15,21H,2-6,16H2,1H3,(H3,27,28)(H,30,31)/b17-15+