2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-(3-phenyl-1-phosphono-propyl)amino]butanedioic acid

Systemtic Name: 2-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-(3-phenyl-1-phosphono-propyl)amino]butanedioic acid Openeye Name: 2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-(3-phenyl-1-phosphono-propyl)amino]butanedioic acid CAS Name: 2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-(3-phenyl-1-phosphonopropyl)amino]butanedioic acid IUPAC Name: 2-[[1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-(3-phenyl-1-phosphonopropyl)amino]butanedioic acid Traditional Name: 2-[[2-hydroxy-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-(3-phenyl-1-phosphono-propyl)amino]succinic acid Formula: C24H27N2O9P MolecularWeight: 518.452941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(N(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(CC(=O)O)C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(N(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(CC(=O)O)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C24H27N2O9P/c27-22(28)13-20(24(31)32)26(21(36(33,34)35)11-10-15-6-2-1-3-7-15)19(23(29)30)12-16-14-25-18-9-5-4-8-17(16)18/h1-9,14,19-21,25H,10-13H2,(H,27,28)(H,29,30)(H,31,32)(H2,33,34,35)