tert-butyl N-[(2R)-1-[[(2R)-1-[(2R,4R)-2-(2-azanylethylcarbamoyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-[1-(triphenylmethyl)imidazol-4-yl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[[(2R)-1-[(2R,4R)-2-(2-azanylethylcarbamoyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-3-[1-(triphenylmethyl)imidazol-4-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[[(1R)-2-[(2R,4R)-2-(2-aminoethylcarbamoyl)-4-(2-naphthylmethoxy)pyrrolidin-1-yl]-1-benzyl-2-oxo-ethyl]amino]-2-oxo-1-[(1-tritylimidazol-4-yl)methyl]ethyl]carbamate CAS Name: N-[(2R)-1-[[(2R)-1-[(2R,4R)-2-[(2-aminoethylamino)-oxomethyl]-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-[1-(triphenylmethyl)-4-imidazolyl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[[(2R)-1-[(2R,4R)-2-(2-aminoethylcarbamoyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamate Traditional Name: N-[(1R)-2-[[(1R)-2-[(2R,4R)-2-(2-aminoethylcarbamoyl)-4-(2-naphthylmethoxy)pyrrolidino]-1-benzyl-2-keto-ethyl]amino]-2-keto-1-[(1-tritylimidazol-4-yl)methyl]ethyl]carbamic acid tert-butyl ester Formula: C57H61N7O6 MolecularWeight: 940.13754

Click to see the large picture

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)NCCN)OCC7=CC8=CC=CC=C8C=C7

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)NCCN)OCC7=CC8=CC=CC=C8C=C7

InChI

InChI=1S/C57H61N7O6/c1-56(2,3)70-55(68)62-49(34-47-36-63(39-60-47)57(44-22-10-5-11-23-44,45-24-12-6-13-25-45)46-26-14-7-15-27-46)52(65)61-50(33-40-18-8-4-9-19-40)54(67)64-37-48(35-51(64)53(66)59-31-30-58)69-38-41-28-29-42-20-16-17-21-43(42)32-41/h4-29,32,36,39,48-51H,30-31,33-35,37-38,58H2,1-3H3,(H,59,66)(H,61,65)(H,62,68)/t48-,49-,50-,51-/m1/s1