N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[3-phenyl-2-(propan-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[3-phenyl-2-(propan-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(1-carbamimidoyl-4-piperidyl)methyl]-1-[2-(isopropylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(1-carbamimidoyl-4-piperidinyl)methyl]-1-[1-oxo-3-phenyl-2-(propan-2-ylsulfonylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(1-carbamimidoylpiperidin-4-yl)methyl]-1-[3-phenyl-2-(propan-2-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-[2-(isopropylsulfonylamino)-3-phenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C24H38N6O4S MolecularWeight: 506.66132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)C(=N)N

Isomeric SMILES

CC(C)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C24H38N6O4S/c1-17(2)35(33,34)28-20(15-18-7-4-3-5-8-18)23(32)30-12-6-9-21(30)22(31)27-16-19-10-13-29(14-11-19)24(25)26/h3-5,7-8,17,19-21,28H,6,9-16H2,1-2H3,(H3,25,26)(H,27,31)