3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-N-pyrrolidin-2-ylcarbonyl-N-sulfamoyl-5H-1,2-oxazole-2-carboxamide

Systemtic Name: 3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-N-pyrrolidin-2-ylcarbonyl-N-sulfamoyl-5H-1,2-oxazole-2-carboxamide Openeye Name: 3,5-bis(2-amino-3-phenyl-propanoyl)-4-carbamimidoyl-N-(pyrrolidine-2-carbonyl)-N-sulfamoyl-5H-isoxazole-2-carboxamide CAS Name: 3,5-bis(2-amino-1-oxo-3-phenylpropyl)-4-carbamimidoyl-N-[oxo(2-pyrrolidinyl)methyl]-N-sulfamoyl-5H-isoxazole-2-carboxamide IUPAC Name: 3,5-bis(2-amino-3-phenylpropanoyl)-4-carbamimidoyl-N-(pyrrolidine-2-carbonyl)-N-sulfamoyl-5H-1,2-oxazole-2-carboxamide Traditional Name: 4-amidino-3,5-diphenylalanyl-N-prolyl-N-sulfamoyl-3-isoxazoline-2-carboxamide Formula: C28H34N8O7S MolecularWeight: 626.68396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(=O)N2C(=C(C(O2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N)S(=O)(=O)N

Isomeric SMILES

C1CC(NC1)C(=O)N(C(=O)N2C(=C(C(O2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N)S(=O)(=O)N

InChI

InChI=1S/C28H34N8O7S/c29-18(14-16-8-3-1-4-9-16)23(37)22-21(26(31)32)25(24(38)19(30)15-17-10-5-2-6-11-17)43-35(22)28(40)36(44(33,41)42)27(39)20-12-7-13-34-20/h1-6,8-11,18-20,25,34H,7,12-15,29-30H2,(H3,31,32)(H2,33,41,42)