sodium (2S,4R)-4-azanyl-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid

Systemtic Name: sodium (2S,4R)-4-azanyl-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid Openeye Name: sodium (2S,4R)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid CAS Name: sodium (2S,4R)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid IUPAC Name: sodium (2S,4R)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid Traditional Name: sodium (2S,4R)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)glutaric acid Formula: C14H16N2NaO5+ MolecularWeight: 315.27701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)N)(C(=O)O)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@](C[C@H](C(=O)O)N)(C(=O)O)O.[Na+]

InChI

InChI=1S/C14H16N2O5.Na/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11;/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20);/q;+1/t10-,14+;/m1./s1