(2R)-2-acetamido-3-[3,4-bis[[(2R)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl]-2-(dimethylamino)-5-oxidanyl-phenyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-acetamido-3-[3,4-bis[[(2R)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl]-2-(dimethylamino)-5-oxidanyl-phenyl]sulfanyl-propanoic acid Openeye Name: (2R)-2-acetamido-3-[3,4-bis[[(2R)-2-acetamido-3-hydroxy-3-oxo-propyl]sulfanyl]-2-(dimethylamino)-5-hydroxy-phenyl]sulfanyl-propanoic acid CAS Name: (2R)-2-acetamido-3-[[3,4-bis[[(2R)-2-acetamido-3-hydroxy-3-oxopropyl]thio]-2-(dimethylamino)-5-hydroxyphenyl]thio]propanoic acid IUPAC Name: (2R)-2-acetamido-3-[3,4-bis[[(2R)-2-acetamido-3-hydroxy-3-oxopropyl]sulfanyl]-2-(dimethylamino)-5-hydroxyphenyl]sulfanylpropanoic acid Traditional Name: (2R)-2-acetamido-3-[[3,4-bis[[(2R)-2-acetamido-3-hydroxy-3-keto-propyl]thio]-2-(dimethylamino)-5-hydroxy-phenyl]thio]propionic acid Formula: C23H32N4O10S3 MolecularWeight: 620.71598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=C(C(=C(C(=C1)O)SCC(C(=O)O)NC(=O)C)SCC(C(=O)O)NC(=O)C)N(C)C)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1=C(C(=C(C(=C1)O)SC[C@@H](C(=O)O)NC(=O)C)SC[C@@H](C(=O)O)NC(=O)C)N(C)C)C(=O)O

InChI

InChI=1S/C23H32N4O10S3/c1-10(28)24-13(21(32)33)7-38-17-6-16(31)19(39-8-14(22(34)35)25-11(2)29)20(18(17)27(4)5)40-9-15(23(36)37)26-12(3)30/h6,13-15,31H,7-9H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H,32,33)(H,34,35)(H,36,37)/t13-,14-,15-/m0/s1