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

Systemtic Name: 4-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-prop-2-enyl-amino]butanoic acid Openeye Name: 4-[allyl-[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-prop-2-enylamino]butanoic acid IUPAC Name: 4-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-prop-2-enylamino]butanoic acid Traditional Name: 4-[allyl-[(E)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]amino]butyric 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(CCCC(=O)O)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-3-14-28(15-4-5-22(29)30)24(31)17(2)16-18-6-8-20(9-7-18)25(32)33-21-12-10-19(11-13-21)23(26)27/h3,6-13,16H,1,4-5,14-15H2,2H3,(H3,26,27)(H,29,30)/b17-16+