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

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonobutylamino)pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonobutylamino)pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-(1-phosphonobutylamino)pentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonobutylamino)pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-(1-phosphonobutylamino)pentanoyl]amino]propionic acid Formula: C21H32N3O6P MolecularWeight: 453.469041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N3O6P/c1-4-7-19(31(28,29)30)23-17(10-13(2)3)20(25)24-18(21(26)27)11-14-12-22-16-9-6-5-8-15(14)16/h5-6,8-9,12-13,17-19,22-23H,4,7,10-11H2,1-3H3,(H,24,25)(H,26,27)(H2,28,29,30)