(2S)-1-[4-(3-ethanoylsulfanylbutylamino)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-(3-ethanoylsulfanylbutylamino)-2-methyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-(3-acetylsulfanylbutylamino)-2-methyl-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[4-[3-(acetylthio)butylamino]-2-methyl-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-(3-acetylsulfanylbutylamino)-2-methyl-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[3-(acetylthio)butylamino]-4-keto-2-methyl-butanoyl]proline Formula: C16H26N2O5S MolecularWeight: 358.45304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)CC(C)C(=O)N1CCCC1C(=O)O)SC(=O)C

Isomeric SMILES

CC(CCNC(=O)CC(C)C(=O)N1CCC[C@H]1C(=O)O)SC(=O)C

InChI

InChI=1S/C16H26N2O5S/c1-10(15(21)18-8-4-5-13(18)16(22)23)9-14(20)17-7-6-11(2)24-12(3)19/h10-11,13H,4-9H2,1-3H3,(H,17,20)(H,22,23)/t10?,11?,13-/m0/s1