(2R,4R)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methylsulfonylamino)-4-piperidin-4-yl-butanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methylsulfonylamino)-4-piperidin-4-yl-butanoyl]pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-N-[(5-carbamimidoyl-2-thienyl)methyl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-(4-piperidyl)butanoyl]pyrrolidine-2-carboxamide CAS Name: (2R,4R)-N-[(5-carbamimidoyl-2-thiophenyl)methyl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-1-oxo-4-(4-piperidinyl)butyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide Traditional Name: (2R,4R)-N-[(5-amidino-2-thienyl)methyl]-4-(4-chlorobenzyl)oxy-1-[(2R)-2-(methanesulfonamido)-4-(4-piperidyl)butanoyl]pyrrolidine-2-carboxamide Formula: C28H39ClN6O5S2 MolecularWeight: 639.22946

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CCC1CCNCC1)C(=O)N2CC(CC2C(=O)NCC3=CC=C(S3)C(=N)N)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)N[C@H](CCC1CCNCC1)C(=O)N2C[C@@H](C[C@@H]2C(=O)NCC3=CC=C(S3)C(=N)N)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H39ClN6O5S2/c1-42(38,39)34-23(8-4-18-10-12-32-13-11-18)28(37)35-16-21(40-17-19-2-5-20(29)6-3-19)14-24(35)27(36)33-15-22-7-9-25(41-22)26(30)31/h2-3,5-7,9,18,21,23-24,32,34H,4,8,10-17H2,1H3,(H3,30,31)(H,33,36)/t21-,23-,24-/m1/s1