[2,4-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenyl-pentan-3-yl] 2-bromanylethanoate

Systemtic Name: [2,4-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenyl-pentan-3-yl] 2-bromanylethanoate Openeye Name: [2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-1-[1-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-ethyl]-3-phenyl-propyl] 2-bromoacetate CAS Name: 2-bromoacetic acid [2,4-bis[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-1,5-diphenylpentan-3-yl] ester IUPAC Name: [2,4-bis[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-1,5-diphenylpentan-3-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-1-[1-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-ethyl]-3-phenyl-propyl] ester Formula: C45H53BrN4O8 MolecularWeight: 857.82832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)OC(=O)CBr)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)OC(=O)CBr)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C45H53BrN4O8/c1-30(2)39(49-44(54)56-28-34-21-13-7-14-22-34)42(52)47-36(25-32-17-9-5-10-18-32)41(58-38(51)27-46)37(26-33-19-11-6-12-20-33)48-43(53)40(31(3)4)50-45(55)57-29-35-23-15-8-16-24-35/h5-24,30-31,36-37,39-41H,25-29H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)