tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanyl-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-5-hydroxy-hexanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[5-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-5-hydroxy-hexanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H43N3O8 MolecularWeight: 549.65632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CCC(CNC(=O)OCC2=CC=CC=C2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C(CCC(CNC(=O)OCC2=CC=CC=C2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H43N3O8/c1-27(2,3)38-24(34)22-13-10-16-31(22)23(33)21(30-26(36)39-28(4,5)6)15-14-20(32)17-29-25(35)37-18-19-11-8-7-9-12-19/h7-9,11-12,20-22,32H,10,13-18H2,1-6H3,(H,29,35)(H,30,36)/t20?,21?,22-/m0/s1