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

Systemtic Name: 3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-N-pyrrolidin-2-ylcarbonyl-N-sulfamoyl-pyrazole-1-carboxamide Openeye Name: 3,5-bis(2-amino-3-phenyl-propanoyl)-4-carbamimidoyl-N-(pyrrolidine-2-carbonyl)-N-sulfamoyl-pyrazole-1-carboxamide CAS Name: 3,5-bis(2-amino-1-oxo-3-phenylpropyl)-4-carbamimidoyl-N-[oxo(2-pyrrolidinyl)methyl]-N-sulfamoyl-1-pyrazolecarboxamide IUPAC Name: 3,5-bis(2-amino-3-phenylpropanoyl)-4-carbamimidoyl-N-(pyrrolidine-2-carbonyl)-N-sulfamoylpyrazole-1-carboxamide Traditional Name: 4-amidino-3,5-diphenylalanyl-N-prolyl-N-sulfamoyl-pyrazole-1-carboxamide Formula: C28H33N9O6S MolecularWeight: 623.68332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(=O)N2C(=C(C(=N2)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(=N2)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/C28H33N9O6S/c29-18(14-16-8-3-1-4-9-16)24(38)22-21(26(31)32)23(25(39)19(30)15-17-10-5-2-6-11-17)36(35-22)28(41)37(44(33,42)43)27(40)20-12-7-13-34-20/h1-6,8-11,18-20,34H,7,12-15,29-30H2,(H3,31,32)(H2,33,42,43)