(2R)-1-[(2S)-2-azanylbutanoyl]-5-ethynyl-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2R)-1-[(2S)-2-azanylbutanoyl]-5-ethynyl-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2R)-1-[(2S)-2-aminobutanoyl]-5-ethynyl-indoline-2-carboxylic acid CAS Name: (2R)-1-[(2S)-2-amino-1-oxobutyl]-5-ethynyl-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2R)-1-[(2S)-2-aminobutanoyl]-5-ethynyl-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2R)-1-[(2S)-2-aminobutanoyl]-5-ethynyl-indoline-2-carboxylic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C(CC2=C1C=CC(=C2)C#C)C(=O)O)N

Isomeric SMILES

CC[C@@H](C(=O)N1[C@H](CC2=C1C=CC(=C2)C#C)C(=O)O)N

InChI

InChI=1S/C15H16N2O3/c1-3-9-5-6-12-10(7-9)8-13(15(19)20)17(12)14(18)11(16)4-2/h1,5-7,11,13H,4,8,16H2,2H3,(H,19,20)/t11-,13+/m0/s1