(2S)-1-[(2S,3S)-3-methyl-2-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S,3S)-3-methyl-2-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-hydroxy-4-oxo-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-hydroxy-2-mercapto-1,4-dioxobutyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-hydroxy-4-oxo-2-sulfanylbutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-hydroxy-4-keto-2-mercapto-butanoyl]amino]-3-methyl-pentanoyl]proline Formula: C15H24N2O6S MolecularWeight: 360.42586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(C(C=O)O)S

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]([C@H](C=O)O)S

InChI

InChI=1S/C15H24N2O6S/c1-3-8(2)11(16-13(20)12(24)10(19)7-18)14(21)17-6-4-5-9(17)15(22)23/h7-12,19,24H,3-6H2,1-2H3,(H,16,20)(H,22,23)/t8-,9-,10-,11-,12-/m0/s1