[2,5-bis[[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenyl-hexan-3-yl] ethanoate

Systemtic Name: [2,5-bis[[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenyl-hexan-3-yl] ethanoate Openeye Name: [3-[[3-methyl-2-(2-pyridylmethoxycarbonylamino)butanoyl]amino]-1-[1-[[3-methyl-2-(2-pyridylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]-4-phenyl-butyl] acetate CAS Name: acetic acid [2,5-bis[[3-methyl-1-oxo-2-[[oxo(2-pyridinylmethoxy)methyl]amino]butyl]amino]-1,6-diphenylhexan-3-yl] ester IUPAC Name: [2,5-bis[[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenylhexan-3-yl] acetate Traditional Name: acetic acid [3-[[3-methyl-2-(2-pyridylmethoxycarbonylamino)butanoyl]amino]-1-[1-[[3-methyl-2-(2-pyridylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]-4-phenyl-butyl] ester Formula: C44H54N6O8 MolecularWeight: 794.93496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=N3)OC(=O)C)NC(=O)OCC4=CC=CC=N4

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=N3)OC(=O)C)NC(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C44H54N6O8/c1-29(2)39(49-43(54)56-27-34-20-12-14-22-45-34)41(52)47-36(24-32-16-8-6-9-17-32)26-38(58-31(5)51)37(25-33-18-10-7-11-19-33)48-42(53)40(30(3)4)50-44(55)57-28-35-21-13-15-23-46-35/h6-23,29-30,36-40H,24-28H2,1-5H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)