(2S)-2-azanyl-3-methyl-butanoic acid; (2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-methyl-butanoic acid; (2S)-2-azanyl-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; (2S)-2-amino-3-methyl-butanoic acid CAS Name: (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; (2S)-2-amino-3-methylbutanoic acid IUPAC Name: (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid; (2S)-2-amino-3-methylbutanoic acid Traditional Name: (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propionic acid; (2S)-2-amino-3-methyl-butyric acid Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N.C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H12N2O3.C5H11NO2/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;1-3(2)4(6)5(7)8/h1-2,4-5,9,13-14H,3,12H2,(H,15,16);3-4H,6H2,1-2H3,(H,7,8)/t9-;4-/m00/s1