3-[[8-(2-carbamimidoylsulfanylethylamino)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[8-(2-carbamimidoylsulfanylethylamino)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[8-(2-carbamimidoylsulfanylethylamino)-4-oxo-quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[8-[2-(carbamimidoylthio)ethylamino]-4-oxo-3-quinolizinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[8-(2-carbamimidoylsulfanylethylamino)-4-oxoquinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[8-[2-(amidinothio)ethylamino]-4-keto-quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C3C=C(C=CN3C2=O)NCCSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C3C=C(C=CN3C2=O)NCCSC(=N)N

InChI

InChI=1S/C22H23N5O4S/c23-22(24)32-11-9-25-15-8-10-27-16(12-15)6-7-17(21(27)31)20(30)26-18(13-19(28)29)14-4-2-1-3-5-14/h1-8,10,12,18,25H,9,11,13H2,(H3,23,24)(H,26,30)(H,28,29)