(2S)-1-[(2S)-2-azanylpropanoyl]-N-(4-carbamimidoyl-2,3-dicyclohexyl-phenyl)carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanylpropanoyl]-N-(4-carbamimidoyl-2,3-dicyclohexyl-phenyl)carbonyl-N-sulfamoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-aminopropanoyl]-N-(4-carbamimidoyl-2,3-dicyclohexyl-benzoyl)-N-sulfamoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-1-oxopropyl]-N-[(4-carbamimidoyl-2,3-dicyclohexylphenyl)-oxomethyl]-N-sulfamoyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-aminopropanoyl]-N-(4-carbamimidoyl-2,3-dicyclohexylbenzoyl)-N-sulfamoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidino-2,3-dicyclohexyl-benzoyl)-1-[(2S)-2-aminopropanoyl]-N-sulfamoyl-pyrrolidine-2-carboxamide Formula: C28H42N6O5S MolecularWeight: 574.73528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)N(C(=O)C2=C(C(=C(C=C2)C(=N)N)C3CCCCC3)C4CCCCC4)S(=O)(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N(C(=O)C2=C(C(=C(C=C2)C(=N)N)C3CCCCC3)C4CCCCC4)S(=O)(=O)N)N

InChI

InChI=1S/C28H42N6O5S/c1-17(29)26(35)33-16-8-13-22(33)28(37)34(40(32,38)39)27(36)21-15-14-20(25(30)31)23(18-9-4-2-5-10-18)24(21)19-11-6-3-7-12-19/h14-15,17-19,22H,2-13,16,29H2,1H3,(H3,30,31)(H2,32,38,39)/t17-,22-/m0/s1