3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-4-[(1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-4-[(1-ethoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[[2-ethoxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-4-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-4-[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-4-[(2-ethoxy-2-keto-1-methylol-ethyl)amino]-4-keto-butyric acid Formula: C20H27N5O8 MolecularWeight: 465.45708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)C1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CCOC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)CCNC(=O)C1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C20H27N5O8/c1-2-33-20(32)14(10-26)25-19(31)13(9-16(28)29)24-15(27)7-8-23-18(30)12-5-3-11(4-6-12)17(21)22/h3-6,13-14,26H,2,7-10H2,1H3,(H3,21,22)(H,23,30)(H,24,27)(H,25,31)(H,28,29)