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

Systemtic Name: (2S)-N-[2,3-bis[(2S)-2-azanyl-3-phenyl-propanoyl]-4-carbamimidoyl-phenyl]carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]-4-carbamimidoyl-benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2,3-bis[(2S)-2-amino-1-oxo-3-phenylpropyl]-4-carbamimidoylphenyl]-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2,3-bis[(2S)-2-amino-3-phenylpropanoyl]-4-carbamimidoylbenzoyl]-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-amidino-2,3-bis[(2S)-2-amino-3-phenyl-propanoyl]benzoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C31H35N7O6S MolecularWeight: 633.7179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N7O6S/c32-22(16-18-8-3-1-4-9-18)27(39)25-20(29(34)35)13-14-21(26(25)28(40)23(33)17-19-10-5-2-6-11-19)30(41)38(45(36,43)44)31(42)24-12-7-15-37-24/h1-6,8-11,13-14,22-24,37H,7,12,15-17,32-33H2,(H3,34,35)(H2,36,43,44)/t22-,23-,24-/m0/s1