(phenylmethyl) N-[[(3S,4S,5R,6R)-5,6-bis(hydroxymethyl)-4-oxidanyl-3-(phenylmethoxycarbonylamino)cyclohexen-1-yl]methyl]carbamate

Systemtic Name: (phenylmethyl) N-[[(3S,4S,5R,6R)-5,6-bis(hydroxymethyl)-4-oxidanyl-3-(phenylmethoxycarbonylamino)cyclohexen-1-yl]methyl]carbamate Openeye Name: benzyl N-[[(3S,4S,5R,6R)-3-(benzyloxycarbonylamino)-4-hydroxy-5,6-bis(hydroxymethyl)cyclohexen-1-yl]methyl]carbamate CAS Name: N-[[(3S,4S,5R,6R)-4-hydroxy-5,6-bis(hydroxymethyl)-3-(phenylmethoxycarbonylamino)-1-cyclohexenyl]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[(3S,4S,5R,6R)-4-hydroxy-5,6-bis(hydroxymethyl)-3-(phenylmethoxycarbonylamino)cyclohexen-1-yl]methyl]carbamate Traditional Name: N-[[(3S,4S,5R,6R)-3-(benzyloxycarbonylamino)-4-hydroxy-5,6-dimethylol-cyclohexen-1-yl]methyl]carbamic acid benzyl ester Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCC2=CC(C(C(C2CO)CO)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCC2=C[C@@H]([C@H]([C@H]([C@H]2CO)CO)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O7/c28-13-20-19(12-26-24(31)33-15-17-7-3-1-4-8-17)11-22(23(30)21(20)14-29)27-25(32)34-16-18-9-5-2-6-10-18/h1-11,20-23,28-30H,12-16H2,(H,26,31)(H,27,32)/t20-,21-,22-,23-/m0/s1