3-(1H-indol-3-yl)-2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(pyrrolidin-2-ylcarbonylamino)pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(prolylamino)pentanoyl]amino]propionic acid Formula: C22H30N4O4 MolecularWeight: 414.498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CCCN3

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C3CCCN3

InChI

InChI=1S/C22H30N4O4/c1-13(2)10-18(25-20(27)17-8-5-9-23-17)21(28)26-19(22(29)30)11-14-12-24-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17-19,23-24H,5,8-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)