(3S)-5-(2,6-dimethoxyphenyl)carbonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (3S)-5-(2,6-dimethoxyphenyl)carbonyloxy-4-oxidanylidene-3-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-5-(2,6-dimethoxybenzoyl)oxy-4-oxo-pentanoic acid CAS Name: (3S)-5-[(2,6-dimethoxyphenyl)-oxomethoxy]-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (3S)-5-(2,6-dimethoxybenzoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-5-(2,6-dimethoxybenzoyl)oxy-4-keto-valeric acid Formula: C22H23NO9 MolecularWeight: 445.41932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23NO9/c1-29-17-9-6-10-18(30-2)20(17)21(27)31-13-16(24)15(11-19(25)26)23-22(28)32-12-14-7-4-3-5-8-14/h3-10,15H,11-13H2,1-2H3,(H,23,28)(H,25,26)/t15-/m0/s1