(2S)-1-[(2R)-2-azanyl-3-[(4-methoxyphenyl)methylsulfinyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-[(4-methoxyphenyl)methylsulfinyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]-3-methyl-1-oxobutyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfinyl]-3-methylbutanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2R)-2-amino-3-methyl-3-p-anisylsulfinyl-butanoyl]pyrrolidine-2-carbonitrile Formula: C18H25N3O3S MolecularWeight: 363.4744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CCCC1C#N)N)S(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)([C@@H](C(=O)N1CCC[C@H]1C#N)N)S(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25N3O3S/c1-18(2,16(20)17(22)21-10-4-5-14(21)11-19)25(23)12-13-6-8-15(24-3)9-7-13/h6-9,14,16H,4-5,10,12,20H2,1-3H3/t14-,16+,25?/m0/s1