5-[2-methyl-4-(methylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: 5-[2-methyl-4-(methylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-5-[2-methyl-4-(methylamino)phenyl]pentanoic acid CAS Name: 5-[2-methyl-4-(methylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: 5-[2-methyl-4-(methylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-5-[2-methyl-4-(methylamino)phenyl]valeric acid Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC)CCCC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC)CCCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N2O4/c1-12-11-14(19-5)10-9-13(12)7-6-8-15(16(21)22)20-17(23)24-18(2,3)4/h9-11,15,19H,6-8H2,1-5H3,(H,20,23)(H,21,22)