S-phenyl 2-[[(E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoyl]amino]ethanethioate

Systemtic Name: S-phenyl 2-[[(E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-but-2-enoyl]amino]ethanethioate Openeye Name: S-phenyl 2-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]amino]ethanethioate CAS Name: 2-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-1-oxobut-2-enyl]amino]ethanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]amino]ethanethioate Traditional Name: 2-[[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]amino]ethanethioic acid S-phenyl ester Formula: C25H35NO7S MolecularWeight: 493.6129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)NCC(=O)SC3=CC=CC=C3)C)C(C)O

Isomeric SMILES

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)NCC(=O)SC3=CC=CC=C3)/C)[C@H](C)O

InChI

InChI=1S/C25H35NO7S/c1-14(10-21(28)26-12-22(29)34-18-7-5-4-6-8-18)9-19-24(31)23(30)17(13-32-19)11-20-25(33-20)15(2)16(3)27/h4-8,10,15-17,19-20,23-25,27,30-31H,9,11-13H2,1-3H3,(H,26,28)/b14-10+/t15-,16-,17-,19-,20-,23+,24-,25-/m0/s1