Pirlimycin

The Pirlimycin, with the CAS registry number of 79548-73-5, is also known as Pirlimycin. This chemical's molecular formula is C₁₇H₃₁ClN₂O₅S and molecular weight is 410.96. What's more, both its IUPAC name and systematic name is Methyl(2S-cis)-7-chloro-6,7,8-trideoxy-6[[(4-ethyl-2-piperidinyl) carbonyl]amino]-1-thio-L-threo-α-D-galacto-octopyranoside. Pirlimycin is active against Gram-positive bacteria, specifically Staphylococcus aureus and coagulase negative species of Staphylococcus and Streptococcus. It has no activity against Gram-negative bacteria. Besides,  it is bacteriostatic and acts by inhibiting bacterial protein synthesis via binding with the 50S subunit of the ribosome.

Physical properties about the Pirlimycin are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 3.1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 85.77 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 103.08 cm³; (15)Molar Volume: 312.2 cm³; (16)Surface Tension: 57 dyne/cm; (17)Density: 1.31 g/cm³; (18)Flash Point: 343.2 °C ; (19)Enthalpy of Vaporization: 108.83 kJ/mol; (20)Boiling Point: 643.9 °C at 760 mmHg; (21)Vapour Pressure: 2.68E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl[C@@H](C)[C@@H](NC(=O)[C@H]1NCC[C@@H](CC)C1)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O
(2) InChI: InChI=1/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/t8-,9+,10-,11+,12-,13+,14+,15+,17+/m0/s1
(3) InChIKey:HBJOXQRURQPDEX-MHXMMLMNBV