(phenylmethyl) (2S)-3-[3-[3-iodanyl-2-methoxy-5-[(2S)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]phenyl]-4-methoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) (2S)-3-[3-[3-iodanyl-2-methoxy-5-[(2S)-3-oxidanylidene-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]phenyl]-4-methoxy-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl (2S)-3-[3-[5-[(2S)-3-benzyloxy-2-(benzyloxycarbonylamino)-3-oxo-propyl]-3-iodo-2-methoxy-phenyl]-4-methoxy-phenyl]-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-[3-[3-iodo-2-methoxy-5-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]phenyl]-4-methoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[3-[3-iodo-2-methoxy-5-[(2S)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]phenyl]-4-methoxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-[3-[5-[(2S)-3-benzoxy-2-(benzyloxycarbonylamino)-3-keto-propyl]-3-iodo-2-methoxy-phenyl]-4-methoxy-phenyl]-2-(benzyloxycarbonylamino)propionic acid benzyl ester Formula: C50H47IN2O10 MolecularWeight: 962.82005

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C4=CC(=CC(=C4OC)I)CC(C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C4=CC(=CC(=C4OC)I)C[C@@H](C(=O)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C50H47IN2O10/c1-58-45-24-23-38(28-43(47(54)60-30-34-15-7-3-8-16-34)52-49(56)62-32-36-19-11-5-12-20-36)25-40(45)41-26-39(27-42(51)46(41)59-2)29-44(48(55)61-31-35-17-9-4-10-18-35)53-50(57)63-33-37-21-13-6-14-22-37/h3-27,43-44H,28-33H2,1-2H3,(H,52,56)(H,53,57)/t43-,44-/m0/s1