2-[4-[3-acetyloxy-2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-acetyloxy-2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3-acetoxy-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]phenoxy]acetic acid CAS Name: 2-[4-[3-acetyloxy-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]phenoxy]acetic acid IUPAC Name: 2-[4-[3-acetyloxy-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[3-acetoxy-2-[(4-amidinobenzoyl)amino]propanoyl]phenoxy]acetic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(=O)C1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)OCC(C(=O)C1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H21N3O7/c1-12(25)30-10-17(24-21(29)15-4-2-14(3-5-15)20(22)23)19(28)13-6-8-16(9-7-13)31-11-18(26)27/h2-9,17H,10-11H2,1H3,(H3,22,23)(H,24,29)(H,26,27)