2-azanyl-3-[[4-(2-propan-2-ylphenyl)-1H-indol-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-(2-propan-2-ylphenyl)-1H-indol-2-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-(2-isopropylphenyl)-1H-indole-2-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[oxo-[4-(2-propan-2-ylphenyl)-1H-indol-2-yl]methyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-(2-propan-2-ylphenyl)-1H-indole-2-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[(4-o-cumenyl-1H-indole-2-carbonyl)amino]propionic acid Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C2=C3C=C(NC3=CC=C2)C(=O)NCC(C(=O)O)N

Isomeric SMILES

CC(C)C1=CC=CC=C1C2=C3C=C(NC3=CC=C2)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C21H23N3O3/c1-12(2)13-6-3-4-7-14(13)15-8-5-9-18-16(15)10-19(24-18)20(25)23-11-17(22)21(26)27/h3-10,12,17,24H,11,22H2,1-2H3,(H,23,25)(H,26,27)