3-[[2-(4-carbamimidoylphenyl)-1-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-oxidanylidene-3-thiomorpholin-4-yl-propyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-oxo-3-thiomorpholino-propyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-oxo-3-thiomorpholin-4-ylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-oxo-3-thiomorpholin-4-ylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-keto-3-thiomorpholino-propyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H28N6O4S MolecularWeight: 508.59262

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C(=O)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CSCCN1C(=O)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H28N6O4S/c26-23(27)16-1-3-17(4-2-16)24-29-19-15-18(25(35)28-9-7-22(33)34)5-6-20(19)31(24)10-8-21(32)30-11-13-36-14-12-30/h1-6,15H,7-14H2,(H3,26,27)(H,28,35)(H,33,34)