(2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-6-oxidanylidene-heptanedioic acid

Systemtic Name: (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-6-oxidanylidene-heptanedioic acid Openeye Name: (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-6-oxo-heptanedioic acid CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)methoxy-oxomethyl]amino]-6-oxoheptanedioic acid IUPAC Name: (2S)-2-[(3,5-dimethoxyphenyl)methoxycarbonylamino]-6-oxoheptanedioic acid Traditional Name: (2S)-2-[(3,5-dimethoxybenzyl)oxycarbonylamino]-6-keto-pimelic acid Formula: C17H21NO9 MolecularWeight: 383.34994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC(=O)NC(CCCC(=O)C(=O)O)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)COC(=O)N[C@@H](CCCC(=O)C(=O)O)C(=O)O)OC

InChI

InChI=1S/C17H21NO9/c1-25-11-6-10(7-12(8-11)26-2)9-27-17(24)18-13(15(20)21)4-3-5-14(19)16(22)23/h6-8,13H,3-5,9H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)/t13-/m0/s1