(phenylmethyl) N-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-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-acetamido-3-[1-(triphenylmethyl)imidazol-4-yl]propanoyl]amino]-3-phenyl-propanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidin-2-yl]carbonylamino]ethyl]carbamate Openeye Name: benzyl N-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)pyrrolidine-2-carbonyl]amino]ethyl]carbamate CAS Name: N-[2-[[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-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-acetamido-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenylpropanoyl]-4-(naphthalen-2-ylmethoxy)pyrrolidine-2-carbonyl]amino]ethyl]carbamate Traditional Name: N-[2-[[(2R,4R)-1-[(2R)-2-[[(2R)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoyl]amino]-3-phenyl-propanoyl]-4-(2-naphthylmethoxy)prolyl]amino]ethyl]carbamic acid benzyl ester Formula: C62H61N7O7 MolecularWeight: 1016.19044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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(=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/C62H61N7O7/c1-44(70)66-55(37-53-39-68(43-65-53)62(50-25-11-4-12-26-50,51-27-13-5-14-28-51)52-29-15-6-16-30-52)58(71)67-56(36-45-19-7-2-8-20-45)60(73)69-40-54(75-42-47-31-32-48-23-17-18-24-49(48)35-47)38-57(69)59(72)63-33-34-64-61(74)76-41-46-21-9-3-10-22-46/h2-32,35,39,43,54-57H,33-34,36-38,40-42H2,1H3,(H,63,72)(H,64,74)(H,66,70)(H,67,71)/t54-,55-,56-,57-/m1/s1