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

Systemtic Name: 3,5-bis(2-azanyl-3-phenyl-propanoyl)-4-carbamimidoyl-N-methylsulfonyl-N-pyrrolidin-2-ylcarbonyl-pyrazole-1-carboxamide Openeye Name: 3,5-bis(2-amino-3-phenyl-propanoyl)-4-carbamimidoyl-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)pyrazole-1-carboxamide CAS Name: 3,5-bis(2-amino-1-oxo-3-phenylpropyl)-4-carbamimidoyl-N-methylsulfonyl-N-[oxo(2-pyrrolidinyl)methyl]-1-pyrazolecarboxamide IUPAC Name: 3,5-bis(2-amino-3-phenylpropanoyl)-4-carbamimidoyl-N-methylsulfonyl-N-(pyrrolidine-2-carbonyl)pyrazole-1-carboxamide Traditional Name: 4-amidino-N-mesyl-3,5-diphenylalanyl-N-prolyl-pyrazole-1-carboxamide Formula: C29H34N8O6S MolecularWeight: 622.69526

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C(=O)C1CCCN1)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

Isomeric SMILES

CS(=O)(=O)N(C(=O)C1CCCN1)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

InChI

InChI=1S/C29H34N8O6S/c1-44(42,43)37(28(40)21-13-8-14-34-21)29(41)36-24(26(39)20(31)16-18-11-6-3-7-12-18)22(27(32)33)23(35-36)25(38)19(30)15-17-9-4-2-5-10-17/h2-7,9-12,19-21,34H,8,13-16,30-31H2,1H3,(H3,32,33)