tert-butyl 6-[4,5-bis(phenylmethoxycarbonylamino)pentanoylamino]hexanoate

Systemtic Name: tert-butyl 6-[4,5-bis(phenylmethoxycarbonylamino)pentanoylamino]hexanoate Openeye Name: tert-butyl 6-[4,5-bis(benzyloxycarbonylamino)pentanoylamino]hexanoate CAS Name: 6-[[1-oxo-4,5-bis(phenylmethoxycarbonylamino)pentyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4,5-bis(phenylmethoxycarbonylamino)pentanoylamino]hexanoate Traditional Name: 6-[4,5-bis(benzyloxycarbonylamino)pentanoylamino]hexanoic acid tert-butyl ester Formula: C31H43N3O7 MolecularWeight: 569.68902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCNC(=O)CCC(CNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCNC(=O)CCC(CNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C31H43N3O7/c1-31(2,3)41-28(36)17-11-6-12-20-32-27(35)19-18-26(34-30(38)40-23-25-15-9-5-10-16-25)21-33-29(37)39-22-24-13-7-4-8-14-24/h4-5,7-10,13-16,26H,6,11-12,17-23H2,1-3H3,(H,32,35)(H,33,37)(H,34,38)