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

Systemtic Name: 2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid Openeye Name: 2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid CAS Name: 2-[[3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-(1-phosphonoethylamino)pentyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propanoic acid Traditional Name: 2-[[3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonoethylamino)pentanoyl]amino]propanoyl]amino]propionic acid Formula: C22H33N4O7P MolecularWeight: 496.493781

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)NC(C)C(=O)O)NC(C)P(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H33N4O7P/c1-12(2)9-18(25-14(4)34(31,32)33)21(28)26-19(20(27)24-13(3)22(29)30)10-15-11-23-17-8-6-5-7-16(15)17/h5-8,11-14,18-19,23,25H,9-10H2,1-4H3,(H,24,27)(H,26,28)(H,29,30)(H2,31,32,33)