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

Systemtic Name: (2S)-2-(1-adamantylcarbonylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(cinchoninoylamino)phenyl]propionic acid Formula: C30H31N3O4 MolecularWeight: 497.58484

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC4=CC=C(C=C4)NC(=O)C5=CC=NC6=CC=CC=C56)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CC4=CC=C(C=C4)NC(=O)C5=CC=NC6=CC=CC=C56)C(=O)O

InChI

InChI=1S/C30H31N3O4/c34-27(24-9-10-31-25-4-2-1-3-23(24)25)32-22-7-5-18(6-8-22)14-26(28(35)36)33-29(37)30-15-19-11-20(16-30)13-21(12-19)17-30/h1-10,19-21,26H,11-17H2,(H,32,34)(H,33,37)(H,35,36)/t19?,20?,21?,26-,30?/m0/s1