quinolin-2-ylmethyl N-[(2S)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3,3-dimethyl-2-(quinolin-2-ylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: quinolin-2-ylmethyl N-[(2S)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3,3-dimethyl-2-(quinolin-2-ylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 2-quinolylmethyl N-[(1S)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3,3-dimethyl-2-(2-quinolylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3,3-dimethyl-1-oxo-2-[[oxo(2-quinolinylmethoxy)methyl]amino]butyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl N-[(2S)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3,3-dimethyl-2-(quinolin-2-ylmethoxycarbonylamino)butanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3,3-dimethyl-2-(2-quinolylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]-2,2-dimethyl-propyl]carbamic acid 2-quinolylmethyl ester Formula: C52H58N6O7 MolecularWeight: 879.05292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C2C(O2)C(CC3=CC=CC=C3)NC(=O)C(C(C)(C)C)NC(=O)OCC4=NC5=CC=CC=C5C=C4)NC(=O)OCC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OCC4=NC5=CC=CC=C5C=C4)NC(=O)OCC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C52H58N6O7/c1-51(2,3)45(57-49(61)63-31-37-27-25-35-21-13-15-23-39(35)53-37)47(59)55-41(29-33-17-9-7-10-18-33)43-44(65-43)42(30-34-19-11-8-12-20-34)56-48(60)46(52(4,5)6)58-50(62)64-32-38-28-26-36-22-14-16-24-40(36)54-38/h7-28,41-46H,29-32H2,1-6H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t41-,42-,43-,44+,45+,46+/m0/s1