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

Systemtic Name: [2,5-bis[[3-methyl-2-(pyridin-2-ylmethoxycarbonylamino)butanoyl]amino]-1,6-diphenyl-hexan-3-yl] 2-methoxyethanoate 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] 2-methoxyacetate CAS Name: 2-methoxyacetic 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] 2-methoxyacetate Traditional Name: 2-methoxyacetic 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: C45H56N6O9 MolecularWeight: 824.96094

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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)COC)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)COC)NC(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C45H56N6O9/c1-30(2)40(50-44(55)58-27-34-20-12-14-22-46-34)42(53)48-36(24-32-16-8-6-9-17-32)26-38(60-39(52)29-57-5)37(25-33-18-10-7-11-19-33)49-43(54)41(31(3)4)51-45(56)59-28-35-21-13-15-23-47-35/h6-23,30-31,36-38,40-41H,24-29H2,1-5H3,(H,48,53)(H,49,54)(H,50,55)(H,51,56)