2-[3-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]propoxy]ethanoic acid

Systemtic Name: 2-[3-[2-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]propoxy]ethanoic acid Openeye Name: 2-[3-[2-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propoxy]acetic acid CAS Name: 2-[3-[[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propoxy]acetic acid IUPAC Name: 2-[3-[2-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propoxy]acetic acid Traditional Name: 2-[3-[2-[(4-amidinobenzoyl)amino]propanoylamino]propoxy]acetic acid Formula: C16H22N4O5 MolecularWeight: 350.36968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCOCC(=O)O)NC(=O)C1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C(=O)NCCCOCC(=O)O)NC(=O)C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C16H22N4O5/c1-10(15(23)19-7-2-8-25-9-13(21)22)20-16(24)12-5-3-11(4-6-12)14(17)18/h3-6,10H,2,7-9H2,1H3,(H3,17,18)(H,19,23)(H,20,24)(H,21,22)