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

Systemtic Name: (6S)-2-methylidene-6-(phenylmethoxycarbonylamino)heptanedioic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-6-methylene-heptanedioic acid CAS Name: (6S)-2-methylene-6-(phenylmethoxycarbonylamino)heptanedioic acid IUPAC Name: (6S)-2-methylidene-6-(phenylmethoxycarbonylamino)heptanedioic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-methylene-pimelic acid Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C=C(CCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H19NO6/c1-11(14(18)19)6-5-9-13(15(20)21)17-16(22)23-10-12-7-3-2-4-8-12/h2-4,7-8,13H,1,5-6,9-10H2,(H,17,22)(H,18,19)(H,20,21)/t13-/m0/s1