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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N3O6P/c1-2-3-12-22(28-24(36(33,34)35)15-14-18-9-5-4-6-10-18)25(30)29-23(26(31)32)16-19-17-27-21-13-8-7-11-20(19)21/h4-11,13,17,22-24,27-28H,2-3,12,14-16H2,1H3,(H,29,30)(H,31,32)(H2,33,34,35)