methyl (2S,4S)-1-[(2R)-2-azanylpropanoyl]-4-ethanoylsulfanyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(2R)-2-azanylpropanoyl]-4-ethanoylsulfanyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-acetylsulfanyl-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-1-[(2R)-2-amino-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-acetylsulfanyl-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C11H18N2O4S MolecularWeight: 274.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)OC)SC(=O)C)N

Isomeric SMILES

C[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)OC)SC(=O)C)N

InChI

InChI=1S/C11H18N2O4S/c1-6(12)10(15)13-5-8(18-7(2)14)4-9(13)11(16)17-3/h6,8-9H,4-5,12H2,1-3H3/t6-,8+,9+/m1/s1