(2S,3R)-2-azanyl-3-[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-indol-3-yl]butanoic acid

Systemtic Name: (2S,3R)-2-azanyl-3-[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-indol-3-yl]butanoic acid Openeye Name: (2S,3R)-2-amino-3-[(3S)-3-hydroxy-1-methyl-2-oxo-indolin-3-yl]butanoic acid CAS Name: (2S,3R)-2-amino-3-[(3S)-3-hydroxy-1-methyl-2-oxo-3-indolyl]butanoic acid IUPAC Name: (2S,3R)-2-amino-3-[(3S)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid Traditional Name: (2S,3R)-2-amino-3-[(3S)-3-hydroxy-2-keto-1-methyl-indolin-3-yl]butyric acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N)C1(C2=CC=CC=C2N(C1=O)C)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)N)[C@@]1(C2=CC=CC=C2N(C1=O)C)O

InChI

InChI=1S/C13H16N2O4/c1-7(10(14)11(16)17)13(19)8-5-3-4-6-9(8)15(2)12(13)18/h3-7,10,19H,14H2,1-2H3,(H,16,17)/t7-,10+,13+/m1/s1