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

Systemtic Name: N,4-bis(2-azanyl-3-phenyl-propanoyl)-2-[(Z)-N'-methylsulfonylcarbamimidoyl]-N-pyrrolidin-2-ylcarbonyl-1,3-oxazole-5-carboxamide Openeye Name: N,4-bis(2-amino-3-phenyl-propanoyl)-2-[(Z)-N'-methylsulfonylcarbamimidoyl]-N-(pyrrolidine-2-carbonyl)oxazole-5-carboxamide CAS Name: 2-[(Z)-amino(methylsulfonylimino)methyl]-N,4-bis(2-amino-1-oxo-3-phenylpropyl)-N-[oxo(2-pyrrolidinyl)methyl]-5-oxazolecarboxamide IUPAC Name: N,4-bis(2-amino-3-phenylpropanoyl)-2-[(Z)-N'-methylsulfonylcarbamimidoyl]-N-(pyrrolidine-2-carbonyl)-1,3-oxazole-5-carboxamide Traditional Name: 2-[(Z)-N'-mesylamidino]-N,4-diphenylalanyl-N-prolyl-oxazole-5-carboxamide Formula: C29H33N7O7S MolecularWeight: 623.68002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(C1=NC(=C(O1)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=NC(=C(O1)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/C29H33N7O7S/c1-44(41,42)35-25(32)26-34-22(23(37)19(30)15-17-9-4-2-5-10-17)24(43-26)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)