3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxidanylidene-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoic acid Openeye Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-thiomorpholino-2H-pyrrol-4-yl]phenyl]propanoic acid CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(4-carbamimidoylphenyl)-5-oxo-3-thiomorpholin-4-yl-2H-pyrrol-4-yl]phenyl]propanoic acid Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-thiomorpholino-3-pyrrolin-3-yl]phenyl]propionic acid Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CSCCN1C2=C(C(=O)N(C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C24H26N4O3S/c25-23(26)18-6-8-19(9-7-18)28-15-20(27-11-13-32-14-12-27)22(24(28)31)17-4-1-16(2-5-17)3-10-21(29)30/h1-2,4-9H,3,10-15H2,(H3,25,26)(H,29,30)