N,5-bis(2-azanyl-3-phenyl-propanoyl)-N-pyrrolidin-2-ylcarbonyl-2-[(E)-N'-sulfamoylcarbamimidoyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N,5-bis(2-azanyl-3-phenyl-propanoyl)-N-pyrrolidin-2-ylcarbonyl-2-[(E)-N'-sulfamoylcarbamimidoyl]-1,3-thiazole-4-carboxamide Openeye Name: N,5-bis(2-amino-3-phenyl-propanoyl)-N-(pyrrolidine-2-carbonyl)-2-[(E)-N'-sulfamoylcarbamimidoyl]thiazole-4-carboxamide CAS Name: N,5-bis(2-amino-1-oxo-3-phenylpropyl)-2-[(E)-amino(sulfamoylimino)methyl]-N-[oxo(2-pyrrolidinyl)methyl]-4-thiazolecarboxamide IUPAC Name: N,5-bis(2-amino-3-phenylpropanoyl)-N-(pyrrolidine-2-carbonyl)-2-[(E)-N'-sulfamoylcarbamimidoyl]-1,3-thiazole-4-carboxamide Traditional Name: N,5-diphenylalanyl-N-prolyl-2-[(E)-N'-sulfamoylamidino]thiazole-4-carboxamide Formula: C28H32N8O6S2 MolecularWeight: 640.73368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(=O)C2=C(SC(=N2)C(=NS(=O)(=O)N)N)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1CC(NC1)C(=O)N(C(=O)C2=C(SC(=N2)/C(=N\S(=O)(=O)N)/N)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C28H32N8O6S2/c29-18(14-16-8-3-1-4-9-16)22(37)23-21(34-25(43-23)24(31)35-44(32,41)42)28(40)36(27(39)20-12-7-13-33-20)26(38)19(30)15-17-10-5-2-6-11-17/h1-6,8-11,18-20,33H,7,12-15,29-30H2,(H2,31,35)(H2,32,41,42)