6-[4,5-bis[bis(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentanoylamino]hexanoic acid

Systemtic Name: 6-[4,5-bis[bis(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]pentanoylamino]hexanoic acid Openeye Name: 6-[4,5-bis[bis(2-benzyloxy-2-oxo-ethyl)amino]pentanoylamino]hexanoic acid CAS Name: 6-[[4,5-bis[bis(2-oxo-2-phenylmethoxyethyl)amino]-1-oxopentyl]amino]hexanoic acid IUPAC Name: 6-[4,5-bis[bis(2-oxo-2-phenylmethoxyethyl)amino]pentanoylamino]hexanoic acid Traditional Name: 6-[4,5-bis[bis(2-benzoxy-2-keto-ethyl)amino]pentanoylamino]hexanoic acid Formula: C47H55N3O11 MolecularWeight: 837.9531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN(CC(CCC(=O)NCCCCCC(=O)O)N(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN(CC(CCC(=O)NCCCCCC(=O)O)N(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C47H55N3O11/c51-42(48-27-15-5-14-24-43(52)53)26-25-41(50(31-46(56)60-35-39-20-10-3-11-21-39)32-47(57)61-36-40-22-12-4-13-23-40)28-49(29-44(54)58-33-37-16-6-1-7-17-37)30-45(55)59-34-38-18-8-2-9-19-38/h1-4,6-13,16-23,41H,5,14-15,24-36H2,(H,48,51)(H,52,53)