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

Systemtic Name: quinolin-2-ylmethyl N-[(2S)-3-methyl-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinolin-2-ylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 2-quinolylmethyl N-[(1S)-2-methyl-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-methyl-2-(2-quinolylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-quinolinylmethoxy)methyl]amino]butyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-1-oxobutan-2-yl]carbamic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl N-[(2S)-3-methyl-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-methyl-2-(quinolin-2-ylmethoxycarbonylamino)butanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-methyl-2-(2-quinolylmethoxycarbonylamino)butanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]carbamoyl]propyl]carbamic acid 2-quinolylmethyl ester Formula: C50H54N6O7 MolecularWeight: 850.99976

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C50H54N6O7/c1-31(2)43(55-49(59)61-29-37-25-23-35-19-11-13-21-39(35)51-37)47(57)53-41(27-33-15-7-5-8-16-33)45-46(63-45)42(28-34-17-9-6-10-18-34)54-48(58)44(32(3)4)56-50(60)62-30-38-26-24-36-20-12-14-22-40(36)52-38/h5-26,31-32,41-46H,27-30H2,1-4H3,(H,53,57)(H,54,58)(H,55,59)(H,56,60)/t41-,42-,43-,44-,45-,46+/m0/s1