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

Systemtic Name: N,5-bis(2-azanyl-3-phenyl-propanoyl)-4-[(Z)-N'-methylsulfonylcarbamimidoyl]-N-pyrrolidin-2-ylcarbonyl-1,3-thiazole-2-carboxamide Openeye Name: N,5-bis(2-amino-3-phenyl-propanoyl)-4-[(Z)-N'-methylsulfonylcarbamimidoyl]-N-(pyrrolidine-2-carbonyl)thiazole-2-carboxamide CAS Name: 4-[(Z)-amino(methylsulfonylimino)methyl]-N,5-bis(2-amino-1-oxo-3-phenylpropyl)-N-[oxo(2-pyrrolidinyl)methyl]-2-thiazolecarboxamide IUPAC Name: N,5-bis(2-amino-3-phenylpropanoyl)-4-[(Z)-N'-methylsulfonylcarbamimidoyl]-N-(pyrrolidine-2-carbonyl)-1,3-thiazole-2-carboxamide Traditional Name: 4-[(Z)-N'-mesylamidino]-N,5-diphenylalanyl-N-prolyl-thiazole-2-carboxamide Formula: C29H33N7O6S2 MolecularWeight: 639.74562

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(C1=C(SC(=N1)C(=O)N(C(=O)C2CCCN2)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N)N

Isomeric SMILES

CS(=O)(=O)/N=C(/C1=C(SC(=N1)C(=O)N(C(=O)C2CCCN2)C(=O)C(CC3=CC=CC=C3)N)C(=O)C(CC4=CC=CC=C4)N)\N

InChI

InChI=1S/C29H33N7O6S2/c1-44(41,42)35-25(32)22-24(23(37)19(30)15-17-9-4-2-5-10-17)43-26(34-22)29(40)36(28(39)21-13-8-14-33-21)27(38)20(31)16-18-11-6-3-7-12-18/h2-7,9-12,19-21,33H,8,13-16,30-31H2,1H3,(H2,32,35)