tert-butyl 6-[4,5-bis[bis(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentanoylamino]hexanoate

Systemtic Name: tert-butyl 6-[4,5-bis[bis(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentanoylamino]hexanoate Openeye Name: tert-butyl 6-[4,5-bis[bis(2-benzyloxy-2-oxo-ethyl)amino]pentanoylamino]hexanoate CAS Name: 6-[[4,5-bis[bis(2-oxo-2-phenylmethoxyethyl)amino]-1-oxopentyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[4,5-bis[bis(2-oxo-2-phenylmethoxyethyl)amino]pentanoylamino]hexanoate Traditional Name: 6-[4,5-bis[bis(2-benzoxy-2-keto-ethyl)amino]pentanoylamino]hexanoic acid tert-butyl ester Formula: C51H63N3O11 MolecularWeight: 894.05942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2)N(CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2)N(CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C51H63N3O11/c1-51(2,3)65-46(56)27-17-8-18-30-52-45(55)29-28-44(54(34-49(59)63-38-42-23-13-6-14-24-42)35-50(60)64-39-43-25-15-7-16-26-43)31-53(32-47(57)61-36-40-19-9-4-10-20-40)33-48(58)62-37-41-21-11-5-12-22-41/h4-7,9-16,19-26,44H,8,17-18,27-39H2,1-3H3,(H,52,55)