(2S,4E)-4-hydroxyimino-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid; (1R)-1-phenylethanamine

Systemtic Name: (2S,4E)-4-hydroxyimino-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid; (1R)-1-phenylethanamine Openeye Name: (2S,4E)-2-hydroxy-4-hydroxyimino-2-(1H-indol-3-ylmethyl)pentanedioic acid; (1R)-1-phenylethanamine CAS Name: (2S,4E)-2-hydroxy-4-hydroxyimino-2-(1H-indol-3-ylmethyl)pentanedioic acid; (1R)-1-phenylethanamine IUPAC Name: (2S,4E)-2-hydroxy-4-hydroxyimino-2-(1H-indol-3-ylmethyl)pentanedioic acid; (1R)-1-phenylethanamine Traditional Name: (2S,4E)-4-hydroximino-2-hydroxy-2-(1H-indol-3-ylmethyl)glutaric acid; [(1R)-1-phenylethyl]amine Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.C1=CC=C2C(=C1)C(=CN2)CC(CC(=NO)C(=O)O)(C(=O)O)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N.C1=CC=C2C(=C1)C(=CN2)C[C@](C/C(=N\O)/C(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H14N2O6.C8H11N/c17-12(18)11(16-22)6-14(21,13(19)20)5-8-7-15-10-4-2-1-3-9(8)10;1-7(9)8-5-3-2-4-6-8/h1-4,7,15,21-22H,5-6H2,(H,17,18)(H,19,20);2-7H,9H2,1H3/b16-11+;/t14-;7-/m01/s1