CAS No.103476-89-7,Leupeptin Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103476-89-7
Name:	Leupeptin

Formula:	2(C₂₀H₃₈N₆O₄)^.H₂SO₄
Molecular Weight:	951.19
Synonyms:	L-Leucinamide, N-acetyl-L-leucyl-N-[4-[(aminoiminomethyl)amino]-1-formylbutyl]-, (S)-, sulfate (2:1);Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate;
EINECS:	600-443-5
Density:	1.21g/cm³
Solubility:	soluble in water
Appearance:	white or off-white powder
Hazard Symbols:	Xn
Risk Codes:	20/21/22-63-36/37/38
Safety:	22-24/25-36/37-36-36/37/39-26-7/8
PSA:	166.27000
LogP:	2.37870

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Specification

The Leupeptin hemisulfate, with the CAS registry number 103476-89-7, is also known as Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate. This chemical's molecular formula is 2(C₂₀H₃₈N₆O₄)^.H₂SO₄ and molecular weight is 951.19. What's more, its systematic name is N-Acetyl-L-leucyl-N-{(2S)-5-[(diaminomethylene)amino]-1-oxo-2-pentanyl}-L-leucinamide sulfate (2:1). This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong acids and strong base.

Physical properties of Leupeptin hemisulfate are: (1)ACD/LogP: 1.165; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): -0.83; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.03; (8)ACD/KOC (pH 7.4): 1.03; (9)#H bond acceptors: 10; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 96.84 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(C)C)CC(C)C)CCC/N=C(\N)N.O=C(N[C@H](C(=O)N[C@H](C=O)CCC/N=C(\N)N)CC(C)C)[C@@H](NC(=O)C)CC(C)C.O=S(=O)(O)O
(2)Std. InChI: InChI=1S/2C20H38N6O4.H2O4S/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)/t2*15-,16-,17-;/m00./s1
(3)Std. InChIKey: CIPMKIHUGVGQTG-VFFZMTJFSA-N