3-[[(Z)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-propan-2-yl-amino]propanoic acid

Systemtic Name: 3-[[(Z)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-propan-2-yl-amino]propanoic acid Openeye Name: 3-[[(Z)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methyl-prop-2-enoyl]-isopropyl-amino]propanoic acid CAS Name: 3-[[(Z)-3-[4-[(4-carbamimidoylphenoxy)-oxomethyl]phenyl]-2-methyl-1-oxoprop-2-enyl]-propan-2-ylamino]propanoic acid IUPAC Name: 3-[[(Z)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-propan-2-ylamino]propanoic acid Traditional Name: 3-[[(Z)-3-[4-(4-amidinophenoxy)carbonylphenyl]-2-methyl-acryloyl]-isopropyl-amino]propionic acid Formula: C24H27N3O5 MolecularWeight: 437.48828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)N(CCC(=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/C24H27N3O5/c1-15(2)27(13-12-21(28)29)23(30)16(3)14-17-4-6-19(7-5-17)24(31)32-20-10-8-18(9-11-20)22(25)26/h4-11,14-15H,12-13H2,1-3H3,(H3,25,26)(H,28,29)/b16-14-