(2S)-2-azanyl-6-[[(2R)-1-[(2R,3R)-3-methyl-1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]oxy-1-oxidanylidene-3-sulfanyl-but-3-en-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[[(2R)-1-[(2R,3R)-3-methyl-1,4-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]oxy-1-oxidanylidene-3-sulfanyl-but-3-en-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: (2S)-2-amino-6-[[(1R)-1-[(1R,2R)-1-carboxy-3-hydroxy-2-methyl-propoxy]carbonyl-2-sulfanyl-allyl]amino]-6-oxo-hexanoic acid CAS Name: (2S)-2-amino-6-[[(2R)-1-[(2R,3R)-1,4-dihydroxy-3-methyl-1-oxobutan-2-yl]oxy-3-mercapto-1-oxobut-3-en-2-yl]amino]-6-oxohexanoic acid IUPAC Name: (2S)-2-amino-6-[[(2R)-1-[(2R,3R)-1,4-dihydroxy-3-methyl-1-oxobutan-2-yl]oxy-1-oxo-3-sulfanylbut-3-en-2-yl]amino]-6-oxohexanoic acid Traditional Name: (2S)-2-amino-6-[[(1R)-1-[(1R,2R)-1-carboxy-3-hydroxy-2-methyl-propoxy]carbonyl-2-mercapto-allyl]amino]-6-keto-hexanoic acid Formula: C15H24N2O8S MolecularWeight: 392.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C(=O)O)OC(=O)C(C(=C)S)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N

InChI

InChI=1S/C15H24N2O8S/c1-7(6-18)12(14(22)23)25-15(24)11(8(2)26)17-10(19)5-3-4-9(16)13(20)21/h7,9,11-12,18,26H,2-6,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)/t7-,9+,11+,12-/m1/s1