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124168-73-6

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Basic Information
CAS No.: 124168-73-6
Name: MMP INHIBITOR I
Molecular Structure:
Molecular Structure of 124168-73-6 (MMP INHIBITOR I)
Formula: C23H34N6O6
Molecular Weight: 490.55
Synonyms: FN 439;MMP Inhibitor 1;
Density: 1.288 g/cm3
Solubility: 1 mg/mL in water
Appearance: solid
PSA: 182.96000
LogP: 1.61330
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Specification

This chemical is called 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid, and its IUPAC name is 1-[2-[(4-aminobenzoyl)amino]acetyl]-N-[1-[[1-(hydroxyamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide. With the molecular formula of C23H34N6O6, its molecular weight is 490.55. The CAS registry number of this chemical is 124168-73-6. In addition, this chemical should be stored at the temperature of −20 °C.

Other characteristics of the 4-Aminobenzoyl-Gly-Pro-D-Leu-D-Ala hydroxamic acid can be summarised as followings: (1)# of Rule of 5 Violations: 2; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.06; (5)ACD/KOC (pH 7.4): 9.96; (6)#H bond acceptors: 12; (7)#H bond donors: 7; (8)#Freely Rotating Bonds: 12; (9)Polar Surface Area: 114.02 Å2; (10)Index of Refraction: 1.582; (11)Molar Refractivity: 127.17 cm3; (12)Molar Volume: 380.6 cm3; (13)Polarizability: 50.41×10-24cm3; (14)Surface Tension: 59.5 dyne/cm; (15)Density: 1.288 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(N[C@@H](C(=O)N[C@@H](C(=O)NO)C)CC(C)C)[C@H]2N(C(=O)CNC(=O)c1ccc(N)cc1)CCC2
2.InChI: InChI=1/C23H34N6O6/c1-13(2)11-17(22(33)26-14(3)20(31)28-35)27-23(34)18-5-4-10-29(18)19(30)12-25-21(32)15-6-8-16(24)9-7-15/h6-9,13-14,17-18,35H,4-5,10-12,24H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)(H,28,31)/t14-,17-,18+/m1/s1