[(2S)-3-[1-[3-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-3-[1-[3-[(2S)-3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate Openeye Name: [(2S)-3-[1-[3-[(2S)-2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]-2-(tert-butoxycarbonylamino)propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-3-[1-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]-2-indolyl]-4-imidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [(2S)-3-[1-[3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-[(4-methoxyphenyl)methyl]indol-2-yl]imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S)-3-[1-[3-[(2S)-2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]-1-p-anisyl-indol-2-yl]imidazol-4-yl]-2-(tert-butoxycarbonylamino)propyl] ester Formula: C44H53N5O9 MolecularWeight: 795.91972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CN(C=N1)C2=C(C3=CC=CC=C3N2CC4=CC=C(C=C4)OC)CC(C(=O)OC)NC(=O)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC[C@H](CC1=CN(C=N1)C2=C(C3=CC=CC=C3N2CC4=CC=C(C=C4)OC)C[C@@H](C(=O)OC)NC(=O)OCC5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C44H53N5O9/c1-43(2,3)40(51)56-27-32(46-42(53)58-44(4,5)6)22-31-25-48(28-45-31)38-35(23-36(39(50)55-8)47-41(52)57-26-30-14-10-9-11-15-30)34-16-12-13-17-37(34)49(38)24-29-18-20-33(54-7)21-19-29/h9-21,25,28,32,36H,22-24,26-27H2,1-8H3,(H,46,53)(H,47,52)/t32-,36-/m0/s1