(2S,3S,4S,5R,6S)-2-[(4-azanyl-5-diazanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-[(2S,4S,5S,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-(2,6-dimethoxyphenoxy)oxane-3,4-diol

Systemtic Name: (2S,3S,4S,5R,6S)-2-[(4-azanyl-5-diazanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-[(2S,4S,5S,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-(2,6-dimethoxyphenoxy)oxane-3,4-diol Openeye Name: (2S,3S,4S,5R,6S)-2-[(4-amino-5-hydrazino-1,2,4-triazol-3-yl)sulfanylmethyl]-5-[(2S,4S,5S,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-(2,6-dimethoxyphenoxy)tetrahydropyran-3,4-diol CAS Name: (2S,3S,4S,5R,6S)-2-[[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)thio]methyl]-5-[[(2S,4S,5S,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-6-methyl-2-oxanyl]oxy]-6-(2,6-dimethoxyphenoxy)oxane-3,4-diol IUPAC Name: (2S,3S,4S,5R,6S)-2-[(4-amino-5-hydrazinyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-[(2S,4S,5S,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-6-methyloxan-2-yl]oxy-6-(2,6-dimethoxyphenoxy)oxane-3,4-diol Traditional Name: (2S,3S,4S,5R,6S)-2-[[(4-amino-5-hydrazino-1,2,4-triazol-3-yl)thio]methyl]-5-[(2S,4S,5S,6S)-4-[[4-(4-chlorophenyl)benzyl]amino]-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6-(2,6-dimethoxyphenoxy)tetrahydropyran-3,4-diol Formula: C35H44ClN7O9S MolecularWeight: 774.28336

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C(C=CC=C3OC)OC)CSC4=NN=C(N4N)NN)O)O)NCC5=CC=C(C=C5)C6=CC=C(C=C6)Cl)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C(C=CC=C3OC)OC)CSC4=NN=C(N4N)NN)O)O)NCC5=CC=C(C=C5)C6=CC=C(C=C6)Cl)O

InChI

InChI=1S/C35H44ClN7O9S/c1-18-28(44)23(39-16-19-7-9-20(10-8-19)21-11-13-22(36)14-12-21)15-27(49-18)51-32-30(46)29(45)26(17-53-35-42-41-34(40-37)43(35)38)50-33(32)52-31-24(47-2)5-4-6-25(31)48-3/h4-14,18,23,26-30,32-33,39,44-46H,15-17,37-38H2,1-3H3,(H,40,41)/t18-,23-,26+,27-,28+,29+,30-,32+,33-/m0/s1