(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[3-(3-methoxyphenyl)-1-oxopropyl]-N-[4-[(E)-2-[4-[[[(2S)-1-[3-(3-methoxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]phenyl]ethenyl]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]prolyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide Formula: C44H48N4O6 MolecularWeight: 728.87512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)C=CC4=CC=C(C=C4)NC(=O)C5CCCN5C(=O)CCC6=CC(=CC=C6)OC

Isomeric SMILES

COC1=CC=CC(=C1)CCC(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)/C=C/C4=CC=C(C=C4)NC(=O)[C@@H]5CCCN5C(=O)CCC6=CC(=CC=C6)OC

InChI

InChI=1S/C44H48N4O6/c1-53-37-9-3-7-33(29-37)19-25-41(49)47-27-5-11-39(47)43(51)45-35-21-15-31(16-22-35)13-14-32-17-23-36(24-18-32)46-44(52)40-12-6-28-48(40)42(50)26-20-34-8-4-10-38(30-34)54-2/h3-4,7-10,13-18,21-24,29-30,39-40H,5-6,11-12,19-20,25-28H2,1-2H3,(H,45,51)(H,46,52)/b14-13+/t39-,40-/m0/s1