(2S,3R)-2-[[(2R,3R)-3-azanyl-2-sulfanyl-5-sulfo-pentanoyl]amino]-3-methyl-pentanoic acid

Systemtic Name: (2S,3R)-2-[[(2R,3R)-3-azanyl-2-sulfanyl-5-sulfo-pentanoyl]amino]-3-methyl-pentanoic acid Openeye Name: (2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfo-pentanoyl]amino]-3-methyl-pentanoic acid CAS Name: (2S,3R)-2-[[(2R,3R)-3-amino-2-mercapto-1-oxo-5-sulfopentyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-2-[[(2R,3R)-3-amino-2-sulfanyl-5-sulfopentanoyl]amino]-3-methylpentanoic acid Traditional Name: (2S,3R)-2-[[(2R,3R)-3-amino-2-mercapto-5-sulfo-pentanoyl]amino]-3-methyl-valeric acid Formula: C11H22N2O6S2 MolecularWeight: 342.43218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C(CCS(=O)(=O)O)N)S

Isomeric SMILES

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

InChI

InChI=1S/C11H22N2O6S2/c1-3-6(2)8(11(15)16)13-10(14)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1