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58632-47-6

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Basic Information
CAS No.: 58632-47-6
Name: GLUTARYL-PHE-AMC
Molecular Structure:
Molecular Structure of 58632-47-6 (GLUTARYL-PHE-AMC)
Formula: C24H24N2O6
Molecular Weight: 436.46
Synonyms: 4-[[1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]-2-phenyl-ethyl]carbamoyl]butanoic acid;
EINECS: 261-369-3
Density: 1.327 g/cm3
Boiling Point: 807.4 °C at 760 mmHg
Flash Point: 442.1 °C
Safety: 22-24/25
PSA: 125.71000
LogP: 3.48620
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Specification

This chemical is called (S)-5-((1-Benzyl-2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)-2-oxoethyl)amino)-5-oxovaleric acid, and its CAS registry number is 58632-47-6. With the molecular formula of C24H24N2O6, its molecular weight is 436.46. 

Other characteristics of the (S)-5-((1-Benzyl-2-((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)-2-oxoethyl)amino)-5-oxovaleric acid can be summarised as followings: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/BCF (pH 5.5): 6.71; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 72.67; (7)ACD/KOC (pH 7.4): 1.14; (8)#H bond acceptors: 8; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 121.8 Å2; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 116.17 cm3; (14)Molar Volume: 328.8 cm3; (15)Polarizability: 46.05×10-24cm3; (16)Surface Tension: 61.6 dyne/cm; (17)Density: 1.327 g/cm3; (18)Flash Point: 442.1 °C; (19)Enthalpy of Vaporization: 123.09 kJ/mol; (20)Boiling Point: 807.4 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-27 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OC(=O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2ccc3c(c2)OC(=O)/C=C3/C
2.InChI: InChI=1/C24H24N2O6/c1-15-12-23(30)32-20-14-17(10-11-18(15)20)25-24(31)19(13-16-6-3-2-4-7-16)26-21(27)8-5-9-22(28)29/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3,(H,25,31)(H,26,27)(H,28,29)/t19-/m0/s1
3.InChIKey: OTPFOMJAYSBYOD-IBGZPJMEBK