[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] (2S,3R)-3-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] (2S,3R)-3-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] (2S,3R)-2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)-3-methoxy-propanoate CAS Name: (2S,3R)-3-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (2S,3R)-3-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S,3R)-2-(benzyloxycarbonylamino)-3-(4-tert-butoxyphenyl)-3-methoxy-propionic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C27H37NO8 MolecularWeight: 503.58458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)C(C(C(=O)OCC(C)(CO)CO)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)[C@H]([C@@H](C(=O)OCC(C)(CO)CO)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C27H37NO8/c1-26(2,3)36-21-13-11-20(12-14-21)23(33-5)22(24(31)35-18-27(4,16-29)17-30)28-25(32)34-15-19-9-7-6-8-10-19/h6-14,22-23,29-30H,15-18H2,1-5H3,(H,28,32)/t22-,23+/m0/s1