tritert-butyl (4S)-5-oxidanyl-4-(phenylmethoxycarbonylamino)pentane-1,2,2-tricarboxylate

Systemtic Name: tritert-butyl (4S)-5-oxidanyl-4-(phenylmethoxycarbonylamino)pentane-1,2,2-tricarboxylate Openeye Name: tritert-butyl (4S)-4-(benzyloxycarbonylamino)-5-hydroxy-pentane-1,2,2-tricarboxylate CAS Name: (4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentane-1,2,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl (4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentane-1,2,2-tricarboxylate Traditional Name: (4S)-4-(benzyloxycarbonylamino)-5-hydroxy-pentane-1,2,2-tricarboxylic acid tritert-butyl ester Formula: C28H43NO9 MolecularWeight: 537.64232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CC(CO)NC(=O)OCC1=CC=CC=C1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CC(C[C@@H](CO)NC(=O)OCC1=CC=CC=C1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H43NO9/c1-25(2,3)36-21(31)16-28(22(32)37-26(4,5)6,23(33)38-27(7,8)9)15-20(17-30)29-24(34)35-18-19-13-11-10-12-14-19/h10-14,20,30H,15-18H2,1-9H3,(H,29,34)/t20-/m0/s1