4-(2-azanylpropanoylamino)-N-[1-(4-chlorophenyl)sulfanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylpropanoylamino)-N-[1-(4-chlorophenyl)sulfanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(2-aminopropanoylamino)-N-[1-[(4-chlorophenyl)sulfanylmethyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxopropyl)amino]-N-[1-[(4-chlorophenyl)thio]-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(2-aminopropanoylamino)-N-[1-(4-chlorophenyl)sulfanyl-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(alanylamino)-N-[1-[[(4-chlorophenyl)thio]methyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide Formula: C24H31ClN4O2S MolecularWeight: 475.04654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC(NC1)C(=O)NC(CCC2=CC=CC=C2)CSC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(C(=O)NC1CC(NC1)C(=O)NC(CCC2=CC=CC=C2)CSC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C24H31ClN4O2S/c1-16(26)23(30)29-20-13-22(27-14-20)24(31)28-19(10-7-17-5-3-2-4-6-17)15-32-21-11-8-18(25)9-12-21/h2-6,8-9,11-12,16,19-20,22,27H,7,10,13-15,26H2,1H3,(H,28,31)(H,29,30)