N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[2-(methylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-1-[2-(methanesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-1-[2-(methanesulfonamido)-1-oxo-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-1-[2-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-(4-amidino-2-methoxy-benzyl)-1-[2-(methanesulfonamido)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C26H35N5O7S MolecularWeight: 561.6504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(=O)O.COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C24H31N5O5S.C2H4O2/c1-34-21-14-17(22(25)26)10-11-18(21)15-27-23(30)20-9-6-12-29(20)24(31)19(28-35(2,32)33)13-16-7-4-3-5-8-16;1-2(3)4/h3-5,7-8,10-11,14,19-20,28H,6,9,12-13,15H2,1-2H3,(H3,25,26)(H,27,30);1H3,(H,3,4)