(phenylmethyl) N-[[(2S,5R,6R)-6-[(1R,2R,3S,4S,6S)-6-azido-4-methoxy-3-[methyl-[2-(phenylmethoxycarbonylamino)ethanoyl]amino]-2-oxidanyl-cyclohexyl]oxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]carbamate

Systemtic Name: (phenylmethyl) N-[[(2S,5R,6R)-6-[(1R,2R,3S,4S,6S)-6-azido-4-methoxy-3-[methyl-[2-(phenylmethoxycarbonylamino)ethanoyl]amino]-2-oxidanyl-cyclohexyl]oxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]carbamate Openeye Name: benzyl N-[[(2S,5R,6R)-6-[(1R,2R,3S,4S,6S)-6-azido-3-[[2-(benzyloxycarbonylamino)acetyl]-methyl-amino]-2-hydroxy-4-methoxy-cyclohexoxy]-5-(benzyloxycarbonylamino)tetrahydropyran-2-yl]methyl]-N-[(1R)-1-phenylethyl]carbamate CAS Name: N-[[(2S,5R,6R)-6-[(1R,2R,3S,4S,6S)-6-azido-2-hydroxy-4-methoxy-3-[methyl-[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]cyclohexyl]oxy-5-(phenylmethoxycarbonylamino)-2-oxanyl]methyl]-N-[(1R)-1-phenylethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[(2S,5R,6R)-6-[(1R,2R,3S,4S,6S)-6-azido-2-hydroxy-4-methoxy-3-[methyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]cyclohexyl]oxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl]-N-[(1R)-1-phenylethyl]carbamate Traditional Name: N-[[(2S,5R,6R)-6-[(1R,2R,3S,4S,6S)-6-azido-3-[[2-(benzyloxycarbonylamino)acetyl]-methyl-amino]-2-hydroxy-4-methoxy-cyclohexoxy]-5-(benzyloxycarbonylamino)tetrahydropyran-2-yl]methyl]-N-[(1R)-1-phenylethyl]carbamic acid benzyl ester Formula: C48H57N7O11 MolecularWeight: 908.00648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(CC2CCC(C(O2)OC3C(CC(C(C3O)N(C)C(=O)CNC(=O)OCC4=CC=CC=C4)OC)N=[N+]=[N-])NC(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N(C[C@@H]2CC[C@H]([C@H](O2)O[C@@H]3[C@H](C[C@@H]([C@H]([C@H]3O)N(C)C(=O)CNC(=O)OCC4=CC=CC=C4)OC)N=[N+]=[N-])NC(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C48H57N7O11/c1-32(36-22-14-7-15-23-36)55(48(60)64-31-35-20-12-6-13-21-35)28-37-24-25-38(51-47(59)63-30-34-18-10-5-11-19-34)45(65-37)66-44-39(52-53-49)26-40(61-3)42(43(44)57)54(2)41(56)27-50-46(58)62-29-33-16-8-4-9-17-33/h4-23,32,37-40,42-45,57H,24-31H2,1-3H3,(H,50,58)(H,51,59)/t32-,37+,38-,39+,40+,42-,43-,44-,45-/m1/s1