(6S)-2-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanedioic acid

Systemtic Name: (6S)-2-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanedioic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-oxo-heptanedioic acid CAS Name: (6S)-2-oxo-6-(phenylmethoxycarbonylamino)heptanedioic acid IUPAC Name: (6S)-2-oxo-6-(phenylmethoxycarbonylamino)heptanedioic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-keto-pimelic acid Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO7/c17-12(14(20)21)8-4-7-11(13(18)19)16-15(22)23-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,16,22)(H,18,19)(H,20,21)/t11-/m0/s1