The Z-Val-OSu, with the CAS registry number 3496-11-5, is also known as Benzyl (S)-(1-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-methylpropyl)carbamate. It belongs to the product categories of Amino Acid Derivatives; Z-Amino Acids and Derivatives; Z-Amino acid series. Its EINECS registry number is 222-493-3. This chemical's molecular formula is C17H20N2O6 and molecular weight is 348.35. Its IUPAC name is called (2,5-dioxopyrrolidin-1-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Physical properties of Z-Val-OSu: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 3.84; (5)ACD/BCF (pH 7.4): 3.84; (6)ACD/KOC (pH 5.5): 91.23; (7)ACD/KOC (pH 7.4): 91.16; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 87.08 cm3; (13)Molar Volume: 266.9 cm3; (14)Surface Tension: 54.9 dyne/cm; (15)Density: 1.3 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C(C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C17H20N2O6/c1-11(2)15(16(22)25-19-13(20)8-9-14(19)21)18-17(23)24-10-12-6-4-3-5-7-12/h3-7,11,15H,8-10H2,1-2H3,(H,18,23)
(3)InChIKey: MFAOBGXYLNLLJE-UHFFFAOYSA-N
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