dimethyl (6S)-2-oxidanyl-6-(phenylmethoxycarbonylamino)heptanedioate

Systemtic Name: dimethyl (6S)-2-oxidanyl-6-(phenylmethoxycarbonylamino)heptanedioate Openeye Name: dimethyl (2S)-2-(benzyloxycarbonylamino)-6-hydroxy-heptanedioate CAS Name: (6S)-2-hydroxy-6-(phenylmethoxycarbonylamino)heptanedioic acid dimethyl ester IUPAC Name: dimethyl (6S)-2-hydroxy-6-(phenylmethoxycarbonylamino)heptanedioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-6-hydroxy-pimelic acid dimethyl ester Formula: C17H23NO7 MolecularWeight: 353.36702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](CCCC(C(=O)OC)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H23NO7/c1-23-15(20)13(9-6-10-14(19)16(21)24-2)18-17(22)25-11-12-7-4-3-5-8-12/h3-5,7-8,13-14,19H,6,9-11H2,1-2H3,(H,18,22)/t13-,14?/m0/s1