Relacatib

The Relacatib is an organic compound with the formula C₂₇H₃₂N₄O₆S. The IUPAC name of this chemical is N-[(2S)-4-methyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide. With the CAS registry number 362505-84-8, it is also named as 2-benzofurancarboxamide, N-[(1S)-1-[[[(4S,7R)-hexahydro-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-1H-azepin-4-yl]amino]carbonyl]-3-methylbutyl]-. The product's classification code is Treatment of Osteoporosis.

Physical properties about Relacatib are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 129.48 Å²; (7)Index of Refraction: 1.628; (8)Molar Refractivity: 142.35 cm³; (9)Molar Volume: 400.8 cm³; (10)Polarizability: 56.43×10^-24cm³; (11)Surface Tension: 64.1 dyne/cm; (12)Density: 1.34 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ncccc1)N4CC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c3oc2ccccc2c3)CC(C)C)CC[C@H]4C
(2)InChI: InChI=1/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
(3)InChIKey: BWYBBMQLUKXECQ-GIVPXCGWBE
(4)Std. InChI: InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
(5)Std. InChIKey: BWYBBMQLUKXECQ-GIVPXCGWSA-N