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

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phosphonomethylamino)pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phosphonomethylamino)pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-(phosphonomethylamino)pentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phosphonomethylamino)pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phosphonomethylamino)pentanoyl]amino]propionic acid Formula: C18H26N3O6P MolecularWeight: 411.389301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N3O6P/c1-11(2)7-15(20-10-28(25,26)27)17(22)21-16(18(23)24)8-12-9-19-14-6-4-3-5-13(12)14/h3-6,9,11,15-16,19-20H,7-8,10H2,1-2H3,(H,21,22)(H,23,24)(H2,25,26,27)