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D-Leucine,N-(N-glycylglycyl)- (9CI)

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Name

D-Leucine,N-(N-glycylglycyl)- (9CI)

EINECS N/A
CAS No. 71184-74-2 Density 1.199 g/cm3
PSA 121.52000 LogP 0.15890
Solubility N/A Melting Point N/A
Formula C10H19N3O4 Boiling Point 573.7 °C at 760 mmHg
Molecular Weight 245.279 Flash Point 300.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 71184-74-2 (GLY-GLY-D-LEU) Hazard Symbols N/A
Synonyms

Glycylglycyl-D-leucine;NSC 380459;

 

D-Leucine,N-(N-glycylglycyl)- (9CI) Specification

The CAS registry number of D-Leucine,N-(N-glycylglycyl)- (9CI) is 71184-74-2. This chemical is also named as Glycylglycyl-D-leucine. In addition, its molecular formula is C10H19N3O4 and molecular weight is 245.28. Its systematic name is called (2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methyl-pentanoic acid.

Physical properties about D-Leucine,N-(N-glycylglycyl)- (9CI) are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.504; (11)Molar Refractivity: 60.64 cm3; (12)Molar Volume: 204.5 cm3; (13)Surface Tension: 49.1 dyne/cm; (14)Density: 1.199 g/cm3; (15)Flash Point: 300.8 °C; (16)Enthalpy of Vaporization: 93.95 kJ/mol; (17)Boiling Point: 573.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)CC(C)C)CNC(=O)CN
(2)InChI: InChI=1/C10H19N3O4/c1-6(2)3-7(10(16)17)13-9(15)5-12-8(14)4-11/h6-7H,3-5,11H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
(3)InChIKey: XPJBQTCXPJNIFE-UHFFFAOYAB

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