3-[(2-azanyl-3,5-dimethyl-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[(2-azanyl-3,5-dimethyl-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(2-amino-3,5-dimethyl-anilino)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-(2-amino-3,5-dimethylanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-amino-3,5-dimethylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(2-amino-3,5-dimethyl-anilino)-2-(tert-butoxycarbonylamino)propionic acid Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NCC(C(=O)O)NC(=O)OC(C)(C)C)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)NCC(C(=O)O)NC(=O)OC(C)(C)C)N)C

InChI

InChI=1S/C16H25N3O4/c1-9-6-10(2)13(17)11(7-9)18-8-12(14(20)21)19-15(22)23-16(3,4)5/h6-7,12,18H,8,17H2,1-5H3,(H,19,22)(H,20,21)