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

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfonyl]-3-methyl-1-oxobutyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfonyl]-3-methylbutanoyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2R)-2-amino-3-methyl-3-p-anisylsulfonyl-butanoyl]pyrrolidine-2-carbonitrile Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S/c1-18(2,16(20)17(22)21-10-4-5-14(21)11-19)26(23,24)12-13-6-8-15(25-3)9-7-13/h6-9,14,16H,4-5,10,12,20H2,1-3H3/t14-,16+/m0/s1