6-(methoxycarbonylamino)-3-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 6-(methoxycarbonylamino)-3-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-6-(methoxycarbonylamino)hexanoic acid CAS Name: 6-(methoxycarbonylamino)-3-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 6-(methoxycarbonylamino)-3-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-6-(carbomethoxyamino)hexanoic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NCCCC(CC(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)NCCCC(CC(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O6/c1-23-15(21)17-9-5-8-13(10-14(19)20)18-16(22)24-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,21)(H,18,22)(H,19,20)