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

Systemtic Name: 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]propanoic acid Openeye Name: 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclohexyl-amino]propanoic acid CAS Name: 3-[[(E)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-cyclohexylamino]propanoic acid IUPAC Name: 3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-cyclohexylamino]propanoic acid Traditional Name: 3-[[(E)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]-cyclohexyl-amino]propionic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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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(CCC(=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(CCC(=O)O)C3CCCCC3

InChI

InChI=1S/C27H31N3O5/c1-18(26(33)30(16-15-24(31)32)22-5-3-2-4-6-22)17-19-7-9-21(10-8-19)27(34)35-23-13-11-20(12-14-23)25(28)29/h7-14,17,22H,2-6,15-16H2,1H3,(H3,28,29)(H,31,32)/b18-17+