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

Systemtic Name: (2S)-2-(cyclohexylcarbonylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-(cyclohexanecarbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[cyclohexyl(oxo)methyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-(cyclohexanecarbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-(cyclohexanecarbonylamino)propionic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C26H27N3O4/c30-24(18-6-2-1-3-7-18)29-23(26(32)33)16-17-10-12-19(13-11-17)28-25(31)21-14-15-27-22-9-5-4-8-20(21)22/h4-5,8-15,18,23H,1-3,6-7,16H2,(H,28,31)(H,29,30)(H,32,33)/t23-/m0/s1