(2S)-2-azanyl-6-[[(3R)-1-[(2S)-3-[(S)-methylsulfinyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-4-sulfanylidene-azetidin-3-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[(3R)-1-[(2S)-3-[(S)-methylsulfinyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-4-sulfanylidene-azetidin-3-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: (2S)-2-amino-6-[[(3R)-1-[(1S)-2-hydroxy-1-[[(S)-methylsulfinyl]methyl]-2-oxo-ethyl]-2-oxo-4-thioxo-azetidin-3-yl]amino]-6-oxo-hexanoic acid CAS Name: (2S)-2-amino-6-[[(3R)-1-[(2S)-1-hydroxy-3-[(S)-methylsulfinyl]-1-oxopropan-2-yl]-2-oxo-4-sulfanylidene-3-azetidinyl]amino]-6-oxohexanoic acid IUPAC Name: (2S)-2-amino-6-[[(3R)-1-[(2S)-1-hydroxy-3-[(S)-methylsulfinyl]-1-oxopropan-2-yl]-2-oxo-4-sulfanylideneazetidin-3-yl]amino]-6-oxohexanoic acid Traditional Name: (2S)-2-amino-6-[[(3R)-1-[(1S)-2-hydroxy-2-keto-1-[[(S)-methylsulfinyl]methyl]ethyl]-2-keto-4-thioxo-azetidin-3-yl]amino]-6-keto-hexanoic acid Formula: C13H19N3O7S2 MolecularWeight: 393.43586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC(C(=O)O)N1C(=O)C(C1=S)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

C[S@](=O)C[C@H](C(=O)O)N1C(=O)[C@H](C1=S)NC(=O)CCC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H19N3O7S2/c1-25(23)5-7(13(21)22)16-10(18)9(11(16)24)15-8(17)4-2-3-6(14)12(19)20/h6-7,9H,2-5,14H2,1H3,(H,15,17)(H,19,20)(H,21,22)/t6-,7+,9+,25-/m0/s1