3-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]amino]propylamino]propanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]amino]propylamino]propanoic acid Openeye Name: 2-[2-[tert-butoxycarbonyl-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]amino]propylamino]-3-(2,3-dihydrobenzofuran-6-yl)propanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-6-yl)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]amino]propylamino]propanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]amino]propylamino]propanoic acid Traditional Name: 2-[2-[tert-butoxycarbonyl-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]amino]propylamino]-3-coumaran-6-yl-propionic acid Formula: C30H42N4O5 MolecularWeight: 538.67828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(CC1=CC2=C(CCO2)C=C1)C(=O)O)N(CCCC3=NC4=C(CCCN4)C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(CNC(CC1=CC2=C(CCO2)C=C1)C(=O)O)N(CCCC3=NC4=C(CCCN4)C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H42N4O5/c1-20(19-32-25(28(35)36)17-21-9-10-22-13-16-38-26(22)18-21)34(29(37)39-30(2,3)4)15-6-8-24-12-11-23-7-5-14-31-27(23)33-24/h9-12,18,20,25,32H,5-8,13-17,19H2,1-4H3,(H,31,33)(H,35,36)