pyridin-2-ylmethyl N-[2-[[(2S,3S,6R)-3-oxidanyl-1,7-diphenyl-6-[[2-(pyridin-2-ylmethoxycarbonylamino)phenyl]carbonylamino]heptan-2-yl]carbamoyl]phenyl]carbamate

Systemtic Name: pyridin-2-ylmethyl N-[2-[[(2S,3S,6R)-3-oxidanyl-1,7-diphenyl-6-[[2-(pyridin-2-ylmethoxycarbonylamino)phenyl]carbonylamino]heptan-2-yl]carbamoyl]phenyl]carbamate Openeye Name: 2-pyridylmethyl N-[2-[[(1S,2S,5R)-1-benzyl-2-hydroxy-6-phenyl-5-[[2-(2-pyridylmethoxycarbonylamino)benzoyl]amino]hexyl]carbamoyl]phenyl]carbamate CAS Name: N-[2-[[[(2S,3S,6R)-3-hydroxy-6-[[oxo-[2-[[oxo(2-pyridinylmethoxy)methyl]amino]phenyl]methyl]amino]-1,7-diphenylheptan-2-yl]amino]-oxomethyl]phenyl]carbamic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl N-[2-[[(2S,3S,6R)-3-hydroxy-1,7-diphenyl-6-[[2-(pyridin-2-ylmethoxycarbonylamino)benzoyl]amino]heptan-2-yl]carbamoyl]phenyl]carbamate Traditional Name: N-[2-[[(1S,2S,5R)-1-benzyl-2-hydroxy-6-phenyl-5-[[2-(2-pyridylmethoxycarbonylamino)benzoyl]amino]hexyl]carbamoyl]phenyl]carbamic acid 2-pyridylmethyl ester Formula: C47H46N6O7 MolecularWeight: 806.90414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCC(C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)OCC4=CC=CC=N4)O)NC(=O)C5=CC=CC=C5NC(=O)OCC6=CC=CC=N6

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CC[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3NC(=O)OCC4=CC=CC=N4)O)NC(=O)C5=CC=CC=C5NC(=O)OCC6=CC=CC=N6

InChI

InChI=1S/C47H46N6O7/c54-43(42(30-34-17-5-2-6-18-34)51-45(56)39-22-8-10-24-41(39)53-47(58)60-32-37-20-12-14-28-49-37)26-25-35(29-33-15-3-1-4-16-33)50-44(55)38-21-7-9-23-40(38)52-46(57)59-31-36-19-11-13-27-48-36/h1-24,27-28,35,42-43,54H,25-26,29-32H2,(H,50,55)(H,51,56)(H,52,57)(H,53,58)/t35-,42+,43+/m1/s1