H-CYS(BZL)-PNA

The Propanamide,2-amino-N-(4-nitrophenyl)-3-[(phenylmethyl)thio]-, (2R)-, with the CAS registry number 7436-62-6, is also known as (R)-2-amino-3-benzylthio-N-(4-nitrophenyl)propionamide. It belongs to the product categories of Enzyme Substrates; Oxytocinase; Substrates by Enzyme. Its EINECS number is 231-090-1. This chemical's molecular formula is C₁₆H₁₇N₃O₃S and molecular weight is 331.39. What's more, its systematic name is S-benzyl-N-(4-nitrophenyl)-L-cysteinamide. The product should be sealed below 0°C and stored in dry places.

Physical properties of Propanamide,2-amino-N-(4-nitrophenyl)-3-[(phenylmethyl)thio]-, (2R)- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 3.26; (5)ACD/BCF (pH 5.5): 30.98; (6)ACD/BCF (pH 7.4): 174.2; (7)ACD/KOC (pH 5.5): 244.48; (8)ACD/KOC (pH 7.4): 1374.72; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 94.67 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 92.31 cm³; (15)Molar Volume: 246 cm³; (16)Polarizability: 36.59×10^-24 cm³; (17)Surface Tension: 63.7 dyne/cm; (18)Density: 1.346 g/cm³; (19)Flash Point: 303.6 °C; (20)Enthalpy of Vaporization: 86.57 kJ/mol; (21)Boiling Point: 578.4 °C at 760 mmHg; (22)Vapour Pressure: 2.24E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
You should not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(Nc1ccc(cc1)[N+]([O-])=O)[C@@H](N)CSCc2ccccc2
(2)InChI: InChI=1/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)/t15-/m0/s1
(3)InChIKey: HOZQMLJHNCMSRC-HNNXBMFYBL