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

Systemtic Name: (2S)-2-(cyclopropylcarbonylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-(cyclopropanecarbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[cyclopropyl(oxo)methyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-(cyclopropanecarbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-(cyclopropanecarbonylamino)propionic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC1C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C23H21N3O4/c27-21(15-7-8-15)26-20(23(29)30)13-14-5-9-16(10-6-14)25-22(28)18-11-12-24-19-4-2-1-3-17(18)19/h1-6,9-12,15,20H,7-8,13H2,(H,25,28)(H,26,27)(H,29,30)/t20-/m0/s1