2-(2-azanylethanoylamino)-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]propanoic acid

Systemtic Name: 2-(2-azanylethanoylamino)-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]propanoic acid Openeye Name: 2-[(2-aminoacetyl)amino]-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]propanoic acid CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-[3,4-bis(2,2-dimethyl-1-oxopropoxy)phenyl]propanoic acid IUPAC Name: 2-[(2-aminoacetyl)amino]-3-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]propanoic acid Traditional Name: 3-(3,4-dipivaloyloxyphenyl)-2-(glycylamino)propionic acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)CN)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)CN)OC(=O)C(C)(C)C

InChI

InChI=1S/C21H30N2O7/c1-20(2,3)18(27)29-14-8-7-12(9-13(17(25)26)23-16(24)11-22)10-15(14)30-19(28)21(4,5)6/h7-8,10,13H,9,11,22H2,1-6H3,(H,23,24)(H,25,26)