(3S)-3-azanyl-4-[[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-cyclohexylsulfanyl-oxan-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-cyclohexylsulfanyl-oxan-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(2R,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-2-cyclohexylsulfanyl-tetrahydropyran-3-yl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-(cyclohexylthio)-3-oxanyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-cyclohexylsulfanyloxan-3-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(2R,3R,4R,5S,6R)-4,5-diacetoxy-6-(acetoxymethyl)-2-(cyclohexylthio)tetrahydropyran-3-yl]amino]-4-keto-butyric acid Formula: C22H34N2O10S MolecularWeight: 518.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SC2CCCCC2)NC(=O)C(CC(=O)O)N)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)SC2CCCCC2)NC(=O)[C@H](CC(=O)O)N)OC(=O)C)OC(=O)C

InChI

InChI=1S/C22H34N2O10S/c1-11(25)31-10-16-19(32-12(2)26)20(33-13(3)27)18(24-21(30)15(23)9-17(28)29)22(34-16)35-14-7-5-4-6-8-14/h14-16,18-20,22H,4-10,23H2,1-3H3,(H,24,30)(H,28,29)/t15-,16+,18+,19+,20+,22+/m0/s1