(2S,3R)-3-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanyl-2-[[phenyl-[2-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]phenyl]methylidene]amino]propanoic acid

Systemtic Name: (2S,3R)-3-(3-fluoranyl-4-methoxy-phenyl)-3-oxidanyl-2-[[phenyl-[2-[[(2S)-1-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]phenyl]methylidene]amino]propanoic acid Openeye Name: (2S,3R)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenyl-methylene]amino]-3-(3-fluoro-4-methoxy-phenyl)-3-hydroxy-propanoic acid CAS Name: (2S,3R)-3-(3-fluoro-4-methoxyphenyl)-3-hydroxy-2-[[[2-[[oxo-[(2S)-1-(phenylmethyl)-2-pyrrolidinyl]methyl]amino]phenyl]-phenylmethylidene]amino]propanoic acid IUPAC Name: (2S,3R)-2-[[[2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]phenyl]-phenylmethylidene]amino]-3-(3-fluoro-4-methoxyphenyl)-3-hydroxypropanoic acid Traditional Name: (2S,3R)-2-[[[2-[[(2S)-1-benzylprolyl]amino]phenyl]-phenyl-methylene]amino]-3-(3-fluoro-4-methoxy-phenyl)-3-hydroxy-propionic acid Formula: C35H34FN3O5 MolecularWeight: 595.659963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3NC(=O)C4CCCN4CC5=CC=CC=C5)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]([C@@H](C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3NC(=O)[C@@H]4CCCN4CC5=CC=CC=C5)O)F

InChI

InChI=1S/C35H34FN3O5/c1-44-30-19-18-25(21-27(30)36)33(40)32(35(42)43)38-31(24-13-6-3-7-14-24)26-15-8-9-16-28(26)37-34(41)29-17-10-20-39(29)22-23-11-4-2-5-12-23/h2-9,11-16,18-19,21,29,32-33,40H,10,17,20,22H2,1H3,(H,37,41)(H,42,43)/t29-,32-,33+/m0/s1