2-(1H-indol-3-ylmethyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(1H-indol-3-ylmethyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(1H-indol-3-ylmethyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(1H-indol-3-ylmethyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(1H-indol-3-ylmethyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(1H-indol-3-ylmethyl)-2,4-diphosphono-glutaric acid Formula: C14H17NO10P2 MolecularWeight: 421.233002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O

InChI

InChI=1S/C14H17NO10P2/c16-12(17)11(26(20,21)22)6-14(13(18)19,27(23,24)25)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H2,20,21,22)(H2,23,24,25)