tert-butyl (3S)-5-bromanyl-4-oxidanylidene-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate

Systemtic Name: tert-butyl (3S)-5-bromanyl-4-oxidanylidene-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Openeye Name: tert-butyl (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-5-bromo-4-oxo-pentanoate CAS Name: (3S)-5-bromo-4-oxo-3-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-5-bromo-4-oxo-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: (3S)-3-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]-5-bromo-4-keto-valeric acid tert-butyl ester Formula: C20H27BrN2O6 MolecularWeight: 471.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O6/c1-13(22-19(27)28-12-14-8-6-5-7-9-14)18(26)23-15(16(24)11-21)10-17(25)29-20(2,3)4/h5-9,13,15H,10-12H2,1-4H3,(H,22,27)(H,23,26)/t13-,15-/m0/s1