(2S)-2-(2,2-dimethylpropanoylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-(2,2-dimethylpropanoylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-(2,2-dimethylpropanoylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-(2,2-dimethylpropanoylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-(pivaloylamino)propionic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(CC1=CC=C(C=C1)NC(=O)C2=CC=NC3=CC=CC=C23)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N[C@@H](CC1=CC=C(C=C1)NC(=O)C2=CC=NC3=CC=CC=C23)C(=O)O

InChI

InChI=1S/C24H25N3O4/c1-24(2,3)23(31)27-20(22(29)30)14-15-8-10-16(11-9-15)26-21(28)18-12-13-25-19-7-5-4-6-17(18)19/h4-13,20H,14H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)/t20-/m0/s1