(2S)-1-[(2S)-2-Aminobutanoyl]-N-Butyl-2-Indolinecarboxamide Ethanedioate (1:1)
[CAS# 175553-48-7]

Identification

• Name: (2S)-1-[(2S)-2-Aminobutanoyl]-N-Butyl-2-Indolinecarboxamide Ethanedioate (1:1)
• Synonyms: (2S)-[1-[(2S)-2-amino-1-oxobutyl]-N-butyl]-2,3-dihydro-1H-indole-2-carboxamide oxalate; (S)-1-((S)-2-Amino-butyryl)-2,3-dihydro-1H-indole-2-carboxylic acid butylamide oxalate; 1H-Indole-2-carboxamide, 1-(2-amino-1-oxobutyl)-N-butyl-2,3-dihydro-, [S-(R*,R*)]-, ethanedioate (1:1) (9CI)
• Molecular Formula: C₁₉H₂₇N₃O₆
• Molecular Weight: 393.43
• CAS Registry Number: 175553-48-7
• SMILES: CCCCNC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](CC)N.C(=O)(C(=O)O)O
• InChI: 1S/C17H25N3O2.C2H2O4/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2;3-1(4)2(5)6/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)/t13-,15-;/m0./s1
• InChIKey: KKMJFDVOXSGHBF-SLHAJLBXSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in water and to 100 mM in DMSO