(2S)-3-(1H-indol-3-yl)-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-indol-3-yl)-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]propanoic acid Openeye Name: (2S)-3-(1H-indol-3-yl)-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoic acid CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoic acid Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[(3-phenylanthranil-5-carbonyl)amino]propionic acid Formula: C25H19N3O4 MolecularWeight: 425.43606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C25H19N3O4/c29-24(27-22(25(30)31)13-17-14-26-20-9-5-4-8-18(17)20)16-10-11-21-19(12-16)23(32-28-21)15-6-2-1-3-7-15/h1-12,14,22,26H,13H2,(H,27,29)(H,30,31)/t22-/m0/s1