(phenylmethyl) N-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoyl]amino]-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]carbonylamino]ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-(triphenylmethyl)imidazol-4-yl]propanoyl]amino]-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]carbonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[[(1R)-1-benzyl-2-[(2R,4R)-2-[2-(benzyloxycarbonylamino)ethylcarbamoyl]-4-(2-naphthylmethoxy)pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-1-[(1-tritylimidazol-4-yl)methyl]ethyl]carbamate CAS Name: N-[2-[[[(2R,4R)-1-[(2R)-2-[[(2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[1-(triphenylmethyl)-4-imidazolyl]propyl]amino]-1-oxo-3-phenylpropyl]-4-(2-naphthalenylmethoxy)-2-pyrrolidinyl]-oxomethyl]amino]ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carbonyl]amino]ethyl]carbamate Traditional Name: N-[(1R)-2-[[(1R)-1-benzyl-2-[(2R,4R)-2-[2-(benzyloxycarbonylamino)ethylcarbamoyl]-4-(2-naphthylmethoxy)pyrrolidino]-2-keto-ethyl]amino]-2-keto-1-[(1-tritylimidazol-4-yl)methyl]ethyl]carbamic acid tert-butyl ester Formula: C65H67N7O8 MolecularWeight: 1074.26958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)N6CC(CC6C(=O)NCCNC(=O)OCC7=CC=CC=C7)OCC8=CC9=CC=CC=C9C=C8

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N[C@H](CC5=CC=CC=C5)C(=O)N6C[C@@H](C[C@@H]6C(=O)NCCNC(=O)OCC7=CC=CC=C7)OCC8=CC9=CC=CC=C9C=C8

InChI

InChI=1S/C65H67N7O8/c1-64(2,3)80-63(77)70-56(39-54-41-71(45-68-54)65(51-27-13-6-14-28-51,52-29-15-7-16-30-52)53-31-17-8-18-32-53)59(73)69-57(38-46-21-9-4-10-22-46)61(75)72-42-55(78-44-48-33-34-49-25-19-20-26-50(49)37-48)40-58(72)60(74)66-35-36-67-62(76)79-43-47-23-11-5-12-24-47/h4-34,37,41,45,55-58H,35-36,38-40,42-44H2,1-3H3,(H,66,74)(H,67,76)(H,69,73)(H,70,77)/t55-,56-,57-,58-/m1/s1