N-(2-Benzoyl-4-chlorophenyl)-N-methyl-DL-valylglycinamide ethanedioate hydrate
[CAS# 74088-44-1]

Identification

• Name: N-(2-Benzoyl-4-chlorophenyl)-N-methyl-DL-valylglycinamide ethanedioate hydrate
• Synonyms: (2S)-2-Amino-N-[2-[[2-(Benzoyl)-4-Chloro-Phenyl]-Methyl-Amino]Acetyl]-3-Methyl-Butanamide; (2S)-2-Amino-N-[2-[(2-Benzoyl-4-Chloro-Phenyl)-Methyl-Amino]Acetyl]-3-Methyl-Butanamide; Oxalic Acid; (2S)-2-Amino-N-[2-[(2-Benzoyl-4-Chlorophenyl)-Methylamino]-1-Oxoethyl]-3-Methylbutanamide; (2S)-2-Amino-N-[2-[[4-Chloro-2-(Oxo-Phenylmethyl)Phenyl]-Methylamino]-1-Oxoethyl]-3-Methylbutanamide; Oxalic Acid
• Molecular Formula: C₄₄H₅₀Cl₂N₆O₁₀
• Molecular Weight: 893.82
• CAS Registry Number: 74088-44-1
• SMILES: [C@@H](N)(C(=O)NC(=O)CN(C1=CC=C(Cl)C=C1C(=O)C2=CC=CC=C2)C)C(C)C.[C@@H](N)(C(=O)NC(=O)CN(C3=CC=C(Cl)C=C3C(=O)C4=CC=CC=C4)C)C(C)C.O=C(O)C(=O)O
• InChI: 1S/2C21H24ClN3O3.C2H2O4/c2*1-13(2)19(23)21(28)24-18(26)12-25(3)17-10-9-15(22)11-16(17)20(27)14-7-5-4-6-8-14;3-1(4)2(5)6/h2*4-11,13,19H,12,23H2,1-3H3,(H,24,26,28);(H,3,4)(H,5,6)/t2*19-;/m00./s1
• InChIKey: OCNHOQXEDVOLTH-UFEREZMFSA-N

Properties

• Boiling point: 607.9°C at 760 mmHg (Cal.)
• Flash point: 321.4°C (Cal.)