(2S)-2-azanyl-6-[[(2R)-1-[(2S)-1-methylsulfanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]oxy-1-oxidanylidene-3-oxidanylsulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[(2R)-1-[(2S)-1-methylsulfanyl-3-oxidanyl-1,3-bis(oxidanylidene)propan-2-yl]oxy-1-oxidanylidene-3-oxidanylsulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: (2S)-2-amino-6-[[(1R)-2-[(1S)-1-carboxy-2-methylsulfanyl-2-oxo-ethoxy]-1-(hydroxysulfanylmethyl)-2-oxo-ethyl]amino]-6-oxo-hexanoic acid CAS Name: (2S)-2-amino-6-[[(2R)-1-[(2S)-1-hydroxy-3-(methylthio)-1,3-dioxopropan-2-yl]oxy-3-(hydroxythio)-1-oxopropan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: (2S)-2-amino-6-[[(2R)-1-[(2S)-1-hydroxy-3-methylsulfanyl-1,3-dioxopropan-2-yl]oxy-3-hydroxysulfanyl-1-oxopropan-2-yl]amino]-6-oxohexanoic acid Traditional Name: (2S)-2-amino-6-[[(1R)-2-[(1S)-1-carboxy-2-keto-2-(methylthio)ethoxy]-2-keto-1-(sulfenomethyl)ethyl]amino]-6-keto-hexanoic acid Formula: C13H20N2O9S2 MolecularWeight: 412.4359

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C(C(=O)O)OC(=O)C(CSO)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

CSC(=O)[C@H](C(=O)O)OC(=O)[C@H](CSO)NC(=O)CCC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H20N2O9S2/c1-25-13(22)9(11(19)20)24-12(21)7(5-26-23)15-8(16)4-2-3-6(14)10(17)18/h6-7,9,23H,2-5,14H2,1H3,(H,15,16)(H,17,18)(H,19,20)/t6-,7-,9-/m0/s1