2-aminocarbonyl-3-[5-(1,3-benzothiazol-5-yl)pentoxy]-2-(carboxymethyloxy)-8-naphthalen-2-yl-octanoic acid

Systemtic Name: 2-aminocarbonyl-3-[5-(1,3-benzothiazol-5-yl)pentoxy]-2-(carboxymethyloxy)-8-naphthalen-2-yl-octanoic acid Openeye Name: 3-[5-(1,3-benzothiazol-5-yl)pentoxy]-2-carbamoyl-2-(carboxymethyloxy)-8-(2-naphthyl)octanoic acid CAS Name: 3-[5-(1,3-benzothiazol-5-yl)pentoxy]-2-carbamoyl-2-(carboxymethyloxy)-8-(2-naphthalenyl)octanoic acid IUPAC Name: 3-[5-(1,3-benzothiazol-5-yl)pentoxy]-2-carbamoyl-2-(carboxymethyloxy)-8-naphthalen-2-yloctanoic acid Traditional Name: 3-[5-(1,3-benzothiazol-5-yl)pentoxy]-2-carbamoyl-2-(carboxymethyloxy)-8-(2-naphthyl)caprylic acid Formula: C33H38N2O7S MolecularWeight: 606.72902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCC(C(C(=O)N)(C(=O)O)OCC(=O)O)OCCCCCC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCC(C(C(=O)N)(C(=O)O)OCC(=O)O)OCCCCCC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C33H38N2O7S/c34-31(38)33(32(39)40,42-21-30(36)37)29(13-5-1-3-9-23-14-16-25-11-6-7-12-26(25)19-23)41-18-8-2-4-10-24-15-17-28-27(20-24)35-22-43-28/h6-7,11-12,14-17,19-20,22,29H,1-5,8-10,13,18,21H2,(H2,34,38)(H,36,37)(H,39,40)