1-[3-(1H-indol-3-yl)-2-[[1-[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-(1H-indol-3-yl)-2-[[1-[3-methyl-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-(1H-indol-3-yl)-2-[[1-[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(1H-indol-3-yl)-2-[[[1-[3-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]butyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(1H-indol-3-yl)-2-[[1-[3-methyl-2-(pyrrolidine-2-carbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(1H-indol-3-yl)-2-[[1-[3-methyl-2-(prolylamino)butanoyl]prolyl]amino]propanoyl]proline Formula: C31H42N6O6 MolecularWeight: 594.70178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCCC4C(=O)O)NC(=O)C5CCCN5

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCCC4C(=O)O)NC(=O)C5CCCN5

InChI

InChI=1S/C31H42N6O6/c1-18(2)26(35-27(38)22-10-5-13-32-22)30(41)36-14-6-11-24(36)28(39)34-23(29(40)37-15-7-12-25(37)31(42)43)16-19-17-33-21-9-4-3-8-20(19)21/h3-4,8-9,17-18,22-26,32-33H,5-7,10-16H2,1-2H3,(H,34,39)(H,35,38)(H,42,43)