(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl (2S)-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl (2S)-2-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propanoate Openeye Name: (5-hydroxy-4-oxo-pyran-2-yl)methyl (2S)-2-[(5-hydroxy-4-oxo-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(5-hydroxy-4-oxo-2-pyranyl)methoxy-oxomethyl]amino]-3-phenylpropanoic acid (5-hydroxy-4-oxo-2-pyranyl)methyl ester IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl (2S)-2-[(5-hydroxy-4-oxopyran-2-yl)methoxycarbonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(5-hydroxy-4-keto-pyran-2-yl)methoxycarbonylamino]-3-phenyl-propionic acid (5-hydroxy-4-keto-pyran-2-yl)methyl ester Formula: C22H19NO10 MolecularWeight: 457.38696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC(=O)C(=CO2)O)NC(=O)OCC3=CC(=O)C(=CO3)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC(=O)C(=CO2)O)NC(=O)OCC3=CC(=O)C(=CO3)O

InChI

InChI=1S/C22H19NO10/c24-17-7-14(30-11-19(17)26)9-32-21(28)16(6-13-4-2-1-3-5-13)23-22(29)33-10-15-8-18(25)20(27)12-31-15/h1-5,7-8,11-12,16,26-27H,6,9-10H2,(H,23,29)/t16-/m0/s1