2-methoxyethyl (4S)-2-azanyl-6-(hydroxymethyl)-4-(4-methoxycarbonylphenyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-6-(hydroxymethyl)-4-(4-methoxycarbonylphenyl)-8-oxidanylidene-4H-pyrano[3,2-b]pyran-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-6-(hydroxymethyl)-4-(4-methoxycarbonylphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate CAS Name: (4S)-2-amino-6-(hydroxymethyl)-4-(4-methoxycarbonylphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-6-(hydroxymethyl)-4-(4-methoxycarbonylphenyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(4-carbomethoxyphenyl)-8-keto-6-methylol-4H-pyrano[3,2-b]pyran-3-carboxylic acid 2-methoxyethyl ester Formula: C21H21NO9 MolecularWeight: 431.39274

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)C(=O)OC)OC(=CC2=O)CO)N

Isomeric SMILES

COCCOC(=O)C1=C(OC2=C([C@H]1C3=CC=C(C=C3)C(=O)OC)OC(=CC2=O)CO)N

InChI

InChI=1S/C21H21NO9/c1-27-7-8-29-21(26)16-15(11-3-5-12(6-4-11)20(25)28-2)18-17(31-19(16)22)14(24)9-13(10-23)30-18/h3-6,9,15,23H,7-8,10,22H2,1-2H3/t15-/m0/s1