(2S,3S)-2-[[(2R,3R)-4-ethoxy-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3S)-2-[[(2R,3R)-4-ethoxy-3-oxidanyl-4-oxidanylidene-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-4-oxo-2-sulfanyl-butanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-2-mercapto-1,4-dioxobutyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-4-oxo-2-sulfanylbutanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[[(2R,3R)-4-ethoxy-3-hydroxy-4-keto-2-mercapto-butanoyl]amino]-3-methyl-valeric acid Formula: C12H21NO6S MolecularWeight: 307.36324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO6S/c1-4-6(3)7(11(16)17)13-10(15)9(20)8(14)12(18)19-5-2/h6-9,14,20H,4-5H2,1-3H3,(H,13,15)(H,16,17)/t6-,7-,8-,9+/m0/s1