methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-ethanoylsulfanyl-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-2-acetylsulfanyl-3-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-2-(acetylthio)-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H32N2O5S MolecularWeight: 400.53278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)OC)SC(=O)C

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)OC)SC(=O)C

InChI

InChI=1S/C19H32N2O5S/c1-7-12(4)16(27-13(5)22)17(23)20-15(11(2)3)18(24)21-10-8-9-14(21)19(25)26-6/h11-12,14-16H,7-10H2,1-6H3,(H,20,23)/t12?,14-,15-,16-/m0/s1