(2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-2-amino-4-methylsulfanyl-butanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-amino-4-(methylthio)-1-oxobutyl]-N-(4-nitrophenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-2-amino-4-(methylthio)butanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H22N4O4S/c1-25-10-8-13(17)16(22)19-9-2-3-14(19)15(21)18-11-4-6-12(7-5-11)20(23)24/h4-7,13-14H,2-3,8-10,17H2,1H3,(H,18,21)/t13-,14-/m0/s1