2-[[2-acetyloxy-6-(phenylmethoxycarbonylamino)hexanoyl]-(3,4-dimethoxyphenyl)amino]ethanoic acid

Systemtic Name: 2-[[2-acetyloxy-6-(phenylmethoxycarbonylamino)hexanoyl]-(3,4-dimethoxyphenyl)amino]ethanoic acid Openeye Name: 2-(N-[2-acetoxy-6-(benzyloxycarbonylamino)hexanoyl]-3,4-dimethoxy-anilino)acetic acid CAS Name: 2-(N-[2-acetyloxy-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]-3,4-dimethoxyanilino)acetic acid IUPAC Name: 2-(N-[2-acetyloxy-6-(phenylmethoxycarbonylamino)hexanoyl]-3,4-dimethoxyanilino)acetic acid Traditional Name: 2-(N-[2-acetoxy-6-(benzyloxycarbonylamino)hexanoyl]-3,4-dimethoxy-anilino)acetic acid Formula: C26H32N2O9 MolecularWeight: 516.54028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(=O)OC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)N(CC(=O)O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C26H32N2O9/c1-18(29)37-22(11-7-8-14-27-26(33)36-17-19-9-5-4-6-10-19)25(32)28(16-24(30)31)20-12-13-21(34-2)23(15-20)35-3/h4-6,9-10,12-13,15,22H,7-8,11,14,16-17H2,1-3H3,(H,27,33)(H,30,31)