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

Systemtic Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[(E)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[(E)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]-cyclopentyl-amino]acetic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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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)C3CCCC3

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)C3CCCC3

InChI

InChI=1S/C25H27N3O5/c1-16(24(31)28(15-22(29)30)20-4-2-3-5-20)14-17-6-8-19(9-7-17)25(32)33-21-12-10-18(11-13-21)23(26)27/h6-14,20H,2-5,15H2,1H3,(H3,26,27)(H,29,30)/b16-14+