2-[1-[3-acetyloxy-2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidin-4-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[3-acetyloxy-2-[(4-carbamimidoylphenyl)carbonylamino]propanoyl]piperidin-4-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[3-acetoxy-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]-4-piperidyl]-2-oxo-acetic acid CAS Name: 2-[1-[3-acetyloxy-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinyl]-2-oxoacetic acid IUPAC Name: 2-[1-[3-acetyloxy-2-[(4-carbamimidoylbenzoyl)amino]propanoyl]piperidin-4-yl]-2-oxoacetic acid Traditional Name: 2-[1-[3-acetoxy-2-[(4-amidinobenzoyl)amino]propanoyl]-4-piperidyl]-2-keto-acetic acid Formula: C20H24N4O7 MolecularWeight: 432.42716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(C(=O)N1CCC(CC1)C(=O)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(=O)OCC(C(=O)N1CCC(CC1)C(=O)C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H24N4O7/c1-11(25)31-10-15(23-18(27)14-4-2-13(3-5-14)17(21)22)19(28)24-8-6-12(7-9-24)16(26)20(29)30/h2-5,12,15H,6-10H2,1H3,(H3,21,22)(H,23,27)(H,29,30)