3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-(pentylamino)propanoic acid

Systemtic Name: 3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-(pentylamino)propanoic acid Openeye Name: 3-[2-(tert-butoxycarbonylamino)-3-methyl-phenyl]-2-(pentylamino)propanoic acid CAS Name: 3-[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-(pentylamino)propanoic acid IUPAC Name: 3-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-(pentylamino)propanoic acid Traditional Name: 2-(amylamino)-3-[2-(tert-butoxycarbonylamino)-3-methyl-phenyl]propionic acid Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(CC1=CC=CC(=C1NC(=O)OC(C)(C)C)C)C(=O)O

Isomeric SMILES

CCCCCNC(CC1=CC=CC(=C1NC(=O)OC(C)(C)C)C)C(=O)O

InChI

InChI=1S/C20H32N2O4/c1-6-7-8-12-21-16(18(23)24)13-15-11-9-10-14(2)17(15)22-19(25)26-20(3,4)5/h9-11,16,21H,6-8,12-13H2,1-5H3,(H,22,25)(H,23,24)