(2S,4S)-4-azanyl-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid; 2-azanyl-1-phenyl-ethanol

Systemtic Name: (2S,4S)-4-azanyl-2-(1H-indol-3-ylmethyl)-2-oxidanyl-pentanedioic acid; 2-azanyl-1-phenyl-ethanol Openeye Name: (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid; 2-amino-1-phenyl-ethanol CAS Name: (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid; 2-amino-1-phenylethanol IUPAC Name: (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)pentanedioic acid; 2-amino-1-phenylethanol Traditional Name: (2S,4S)-4-amino-2-hydroxy-2-(1H-indol-3-ylmethyl)glutaric acid; 2-amino-1-phenyl-ethanol Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN)O.C1=CC=C2C(=C1)C(=CN2)CC(CC(C(=O)O)N)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5.C8H11NO/c15-10(12(17)18)6-14(21,13(19)20)5-8-7-16-11-4-2-1-3-9(8)11;9-6-8(10)7-4-2-1-3-5-7/h1-4,7,10,16,21H,5-6,15H2,(H,17,18)(H,19,20);1-5,8,10H,6,9H2/t10-,14-;/m0./s1