4-(2-azanylethanoylamino)-N-[1-(4-fluorophenyl)sulfanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethanoylamino)-N-[1-(4-fluorophenyl)sulfanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-[(2-aminoacetyl)amino]-N-[1-[(4-fluorophenyl)sulfanylmethyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-[1-[(4-fluorophenyl)thio]-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-aminoacetyl)amino]-N-[1-(4-fluorophenyl)sulfanyl-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[1-[[(4-fluorophenyl)thio]methyl]-3-phenyl-propyl]-4-(glycylamino)pyrrolidine-2-carboxamide Formula: C23H29FN4O2S MolecularWeight: 444.565363

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)CSC3=CC=C(C=C3)F)NC(=O)CN

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)CSC3=CC=C(C=C3)F)NC(=O)CN

InChI

InChI=1S/C23H29FN4O2S/c24-17-7-10-20(11-8-17)31-15-18(9-6-16-4-2-1-3-5-16)28-23(30)21-12-19(14-26-21)27-22(29)13-25/h1-5,7-8,10-11,18-19,21,26H,6,9,12-15,25H2,(H,27,29)(H,28,30)