2-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[12-(tert-butoxycarbonylamino)dodecanoylamino]propanoic acid CAS Name: 2-[[12-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxododecyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoylamino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[12-(tert-butoxycarbonylamino)dodecanoylamino]propionic acid Formula: C33H48N2O6 MolecularWeight: 568.74402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C33H48N2O6/c1-33(2,3)41-32(39)34-23-15-10-8-6-4-5-7-9-14-18-30(36)35-29(31(37)38)24-26-19-21-28(22-20-26)40-25-27-16-12-11-13-17-27/h11-13,16-17,19-22,29H,4-10,14-15,18,23-25H2,1-3H3,(H,34,39)(H,35,36)(H,37,38)