ethyl 5-[7-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl]furan-2-carboxylate

Systemtic Name: ethyl 5-[7-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl]furan-2-carboxylate Openeye Name: ethyl 5-[7-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-5-hydroxy-4-oxo-chromen-3-yl]furan-2-carboxylate CAS Name: 5-[5-hydroxy-7-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]-4-oxo-1-benzopyran-3-yl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[5-hydroxy-7-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-4-oxochromen-3-yl]furan-2-carboxylate Traditional Name: 5-[7-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-5-hydroxy-4-keto-chromen-3-yl]furan-2-carboxylic acid ethyl ester Formula: C29H27NO10 MolecularWeight: 549.52538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)C(C(C)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)C2=COC3=CC(=CC(=C3C2=O)O)OC(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO10/c1-4-36-27(33)22-11-10-21(40-22)19-15-37-23-13-18(12-20(31)24(23)26(19)32)39-28(34)25(16(2)3)30-29(35)38-14-17-8-6-5-7-9-17/h5-13,15-16,25,31H,4,14H2,1-3H3,(H,30,35)/t25-/m0/s1