(2S)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]-2-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]-2-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]carbonylamino]propanoic acid Openeye Name: (2S)-3-[4-(quinoline-4-carbonylamino)phenyl]-2-[[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]amino]propanoic acid CAS Name: (2S)-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]-2-[[oxo-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(quinoline-4-carbonylamino)phenyl]-2-[[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]amino]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-[[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]amino]propionic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1(C)C)(C)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C[C@H]1CC[C@@](C1(C)C)(C)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C29H33N3O4/c1-18-13-15-29(4,28(18,2)3)27(36)32-24(26(34)35)17-19-9-11-20(12-10-19)31-25(33)22-14-16-30-23-8-6-5-7-21(22)23/h5-12,14,16,18,24H,13,15,17H2,1-4H3,(H,31,33)(H,32,36)(H,34,35)/t18-,24-,29-/m0/s1