(2S,4S)-4-(1-adamantyloxy)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4S)-4-(1-adamantyloxy)-1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,4S)-1-(3-acetylsulfanyl-2-methyl-propanoyl)-4-(1-adamantyloxy)pyrrolidine-2-carboxylic acid CAS Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4-(1-adamantyloxy)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4S)-1-(3-acetylsulfanyl-2-methylpropanoyl)-4-(1-adamantyloxy)pyrrolidine-2-carboxylic acid Traditional Name: (2S,4S)-1-[3-(acetylthio)-2-methyl-propanoyl]-4-(1-adamantyloxy)proline Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1C[C@H](C[C@H]1C(=O)O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31NO5S/c1-12(11-28-13(2)23)19(24)22-10-17(6-18(22)20(25)26)27-21-7-14-3-15(8-21)5-16(4-14)9-21/h12,14-18H,3-11H2,1-2H3,(H,25,26)/t12?,14?,15?,16?,17-,18-,21?/m0/s1