quinolin-2-yl N-[(2S)-3-cyano-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-cyano-2-(quinolin-2-yloxycarbonylamino)propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: quinolin-2-yl N-[(2S)-3-cyano-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-cyano-2-(quinolin-2-yloxycarbonylamino)propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-quinolyl N-[(1S)-1-(cyanomethyl)-2-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-cyano-2-(2-quinolyloxycarbonylamino)propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-cyano-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-cyano-1-oxo-2-[[oxo(2-quinolinyloxy)methyl]amino]propyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid 2-quinolinyl ester IUPAC Name: quinolin-2-yl N-[(2S)-3-cyano-1-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-cyano-2-(quinolin-2-yloxycarbonylamino)propanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(cyanomethyl)-2-[[(1S)-1-[(2S,3R)-3-[(1S)-1-[[(2S)-3-cyano-2-(2-quinolyloxycarbonylamino)propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-2-keto-ethyl]carbamic acid 2-quinolyl ester Formula: C46H40N8O7 MolecularWeight: 816.8592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2C(O2)C(CC3=CC=CC=C3)NC(=O)C(CC#N)NC(=O)OC4=NC5=CC=CC=C5C=C4)NC(=O)C(CC#N)NC(=O)OC6=NC7=CC=CC=C7C=C6

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC#N)NC(=O)OC4=NC5=CC=CC=C5C=C4)NC(=O)[C@H](CC#N)NC(=O)OC6=NC7=CC=CC=C7C=C6

InChI

InChI=1S/C46H40N8O7/c47-25-23-35(53-45(57)59-39-21-19-31-15-7-9-17-33(31)49-39)43(55)51-37(27-29-11-3-1-4-12-29)41-42(61-41)38(28-30-13-5-2-6-14-30)52-44(56)36(24-26-48)54-46(58)60-40-22-20-32-16-8-10-18-34(32)50-40/h1-22,35-38,41-42H,23-24,27-28H2,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t35-,36-,37-,38-,41-,42+/m0/s1