2-(2,2-dimethylpropanoylamino)-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid Openeye Name: 3-[4-(benzyloxycarbonylamino)phenyl]-2-(2,2-dimethylpropanoylamino)propanoic acid CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid IUPAC Name: 2-(2,2-dimethylpropanoylamino)-3-[4-(phenylmethoxycarbonylamino)phenyl]propanoic acid Traditional Name: 3-[4-(benzyloxycarbonylamino)phenyl]-2-(pivaloylamino)propionic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NC(CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H26N2O5/c1-22(2,3)20(27)24-18(19(25)26)13-15-9-11-17(12-10-15)23-21(28)29-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)