(2S)-N-[3,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-2-fluoranyl-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[3,5-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-2-fluoranyl-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-2-fluoro-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[3,5-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoyl-2-fluorophenyl]-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[3,5-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoyl-2-fluorobenzoyl]-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-amidino-3,5-bis[(2S)-2-amino-3-phenyl-propanoyl]-2-fluoro-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C31H34FN7O6S MolecularWeight: 651.708363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C(=O)C2=C(C(=C(C(=C2)C(=O)C(CC3=CC=CC=C3)N)C(=N)N)C(=O)C(CC4=CC=CC=C4)N)F)S(=O)(=O)N

Isomeric SMILES

C1C[C@H](NC1)C(=O)N(C(=O)C2=C(C(=C(C(=C2)C(=O)[C@H](CC3=CC=CC=C3)N)C(=N)N)C(=O)[C@H](CC4=CC=CC=C4)N)F)S(=O)(=O)N

InChI

InChI=1S/C31H34FN7O6S/c32-26-20(30(42)39(46(37,44)45)31(43)23-12-7-13-38-23)16-19(27(40)21(33)14-17-8-3-1-4-9-17)24(29(35)36)25(26)28(41)22(34)15-18-10-5-2-6-11-18/h1-6,8-11,16,21-23,38H,7,12-15,33-34H2,(H3,35,36)(H2,37,44,45)/t21-,22-,23-/m0/s1