(2S,3S)-3-azanyl-4-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy]-4-oxidanylidene-2-phenylmethoxy-butanoic acid

Systemtic Name: (2S,3S)-3-azanyl-4-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methoxy]-4-oxidanylidene-2-phenylmethoxy-butanoic acid Openeye Name: (2S,3S)-3-amino-2-benzyloxy-4-[(7-methoxy-2-oxo-chromen-4-yl)methoxy]-4-oxo-butanoic acid CAS Name: (2S,3S)-3-amino-4-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methoxy]-4-oxo-2-phenylmethoxybutanoic acid IUPAC Name: (2S,3S)-3-amino-4-[(7-methoxy-2-oxochromen-4-yl)methoxy]-4-oxo-2-phenylmethoxybutanoic acid Traditional Name: (2S,3S)-3-amino-2-benzoxy-4-keto-4-[(2-keto-7-methoxy-chromen-4-yl)methoxy]butyric acid Formula: C22H21NO8 MolecularWeight: 427.40404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C(=O)O)OCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H]([C@@H](C(=O)O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C22H21NO8/c1-28-15-7-8-16-14(9-18(24)31-17(16)10-15)12-30-22(27)19(23)20(21(25)26)29-11-13-5-3-2-4-6-13/h2-10,19-20H,11-12,23H2,1H3,(H,25,26)/t19-,20-/m0/s1