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

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-phenyl-1-phosphono-propyl)amino]pentanoyl]amino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-phenyl-1-phosphono-propyl)amino]pentanoyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[4-methyl-1-oxo-2-[(3-phenyl-1-phosphonopropyl)amino]pentyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-phenyl-1-phosphonopropyl)amino]pentanoyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[4-methyl-2-[(3-phenyl-1-phosphono-propyl)amino]pentanoyl]amino]propionic acid Formula: C26H34N3O6P MolecularWeight: 515.538421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(CCC3=CC=CC=C3)P(=O)(O)O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(CCC3=CC=CC=C3)P(=O)(O)O

InChI

InChI=1S/C26H34N3O6P/c1-17(2)14-22(28-24(36(33,34)35)13-12-18-8-4-3-5-9-18)25(30)29-23(26(31)32)15-19-16-27-21-11-7-6-10-20(19)21/h3-11,16-17,22-24,27-28H,12-15H2,1-2H3,(H,29,30)(H,31,32)(H2,33,34,35)