(phenylmethyl) N-[(2S)-3-imidazol-1-yl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-imidazol-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-imidazol-1-yl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-imidazol-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-2-(benzyloxycarbonylamino)-3-imidazol-1-yl-propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-(imidazol-1-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(1-imidazolyl)-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-(1-imidazolyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-phenylethyl]-2-oxiranyl]-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-imidazol-1-yl-1-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-3-imidazol-1-yl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-phenylethyl]oxiran-2-yl]-2-phenylethyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-1-[(2R,3S)-3-[(1S)-1-[[(2S)-2-(benzyloxycarbonylamino)-3-imidazol-1-yl-propanoyl]amino]-2-phenyl-ethyl]oxiran-2-yl]-2-phenyl-ethyl]amino]-1-(imidazol-1-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C46H48N8O7 MolecularWeight: 824.92272

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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(CN4C=CN=C4)NC(=O)OCC5=CC=CC=C5)NC(=O)C(CN6C=CN=C6)NC(=O)OCC7=CC=CC=C7

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](CN4C=CN=C4)NC(=O)OCC5=CC=CC=C5)NC(=O)[C@H](CN6C=CN=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C46H48N8O7/c55-43(39(27-53-23-21-47-31-53)51-45(57)59-29-35-17-9-3-10-18-35)49-37(25-33-13-5-1-6-14-33)41-42(61-41)38(26-34-15-7-2-8-16-34)50-44(56)40(28-54-24-22-48-32-54)52-46(58)60-30-36-19-11-4-12-20-36/h1-24,31-32,37-42H,25-30H2,(H,49,55)(H,50,56)(H,51,57)(H,52,58)/t37-,38-,39-,40-,41-,42+/m0/s1