7-[(2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid

Systemtic Name: 7-[(2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-7-(o-tolylcarbamoylamino)heptanoic acid CAS Name: 7-[[(2-methylanilino)-oxomethyl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanoic acid IUPAC Name: 7-[(2-methylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-7-(o-tolylcarbamoylamino)enanthic acid Formula: C20H31N3O5 MolecularWeight: 393.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCCCCC(CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCCCCC(CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O5/c1-14-9-5-6-11-16(14)23-18(26)21-12-8-7-10-15(13-17(24)25)22-19(27)28-20(2,3)4/h5-6,9,11,15H,7-8,10,12-13H2,1-4H3,(H,22,27)(H,24,25)(H2,21,23,26)