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

Systemtic Name: (2S)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-2-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-[4-(quinoline-4-carbonylamino)phenyl]-2-(tetralin-2-carbonylamino)propanoic acid CAS Name: (2S)-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]-2-[[oxo(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(quinoline-4-carbonylamino)phenyl]-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-(tetralin-2-carbonylamino)propionic acid Formula: C30H27N3O4 MolecularWeight: 493.55308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CC1C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2CC1C(=O)N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C30H27N3O4/c34-28(22-12-11-20-5-1-2-6-21(20)18-22)33-27(30(36)37)17-19-9-13-23(14-10-19)32-29(35)25-15-16-31-26-8-4-3-7-24(25)26/h1-10,13-16,22,27H,11-12,17-18H2,(H,32,35)(H,33,34)(H,36,37)/t22?,27-/m0/s1