(2S)-2-acetamido-5-[[(2R)-3-methoxycarbonylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-acetamido-5-[[(2R)-3-methoxycarbonylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-acetamido-5-[[(1R)-2-hydroxy-1-(methoxycarbonylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-acetamido-5-[[(2R)-1-hydroxy-3-(methoxycarbonylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-acetamido-5-[[(2R)-1-hydroxy-3-methoxycarbonylsulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-acetamido-5-[[(1R)-1-[(carbomethoxythio)methyl]-2-hydroxy-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C12H18N2O8S MolecularWeight: 350.34492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)NC(CSC(=O)OC)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O8S/c1-6(15)13-7(10(17)18)3-4-9(16)14-8(11(19)20)5-23-12(21)22-2/h7-8H,3-5H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1