(2R,4R)-1-(2-azanyl-3-piperidin-3-yl-propanoyl)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-1-(2-azanyl-3-piperidin-3-yl-propanoyl)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-1-[2-amino-3-(3-piperidyl)propanoyl]-N-[(5-carbamimidoyl-2-thienyl)methyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxamide CAS Name: (2R,4R)-1-[2-amino-1-oxo-3-(3-piperidinyl)propyl]-N-[(5-carbamimidoyl-2-thiophenyl)methyl]-4-[(4-chlorophenyl)methoxy]-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-1-(2-amino-3-piperidin-3-ylpropanoyl)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-4-[(4-chlorophenyl)methoxy]pyrrolidine-2-carboxamide Traditional Name: (2R,4R)-N-[(5-amidino-2-thienyl)methyl]-1-[2-amino-3-(3-piperidyl)propanoyl]-4-(4-chlorobenzyl)oxy-pyrrolidine-2-carboxamide Formula: C26H35ClN6O3S MolecularWeight: 547.1125

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CC(C(=O)N2CC(CC2C(=O)NCC3=CC=C(S3)C(=N)N)OCC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C1CC(CNC1)CC(C(=O)N2C[C@@H](C[C@@H]2C(=O)NCC3=CC=C(S3)C(=N)N)OCC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C26H35ClN6O3S/c27-18-5-3-16(4-6-18)15-36-19-11-22(25(34)32-13-20-7-8-23(37-20)24(29)30)33(14-19)26(35)21(28)10-17-2-1-9-31-12-17/h3-8,17,19,21-22,31H,1-2,9-15,28H2,(H3,29,30)(H,32,34)/t17?,19-,21?,22-/m1/s1