4-Thiazoleacetic acid,2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-a-(methoxyimino)-, (aZ)- (88970-81-4)

The CAS register number of 2-[2-(Boc-L-alanyl)aminothaizol-4-yl]-2-methoxyimino acetic acid is 88970-81-4. It also can be called as [S-(Z)]-2-[[2-[[(1,1-Dimethylethoxy)carbonyl]amino]-1-oxopropyl]amino]-alpha-(methoxyimino)-4-thiazoleacetic acid and the systematic name about this chemical is (2E)-2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]thiazol-4-yl]-2-methoxyimino-acetic acid. The molecular formula about this chemical is C₁₄H₂₀N₄O₆S and molecular weight is 372.40.

Physical properties about 2-[2-(Boc-L-alanyl)aminothaizol-4-yl]-2-methoxyimino acetic acid are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 167.45Ų; (7)Index of Refraction: 1.594; (8)Molar Refractivity: 90.33 cm³; (9)Molar Volume: 265.9 cm³; (10)Polarizability: 35.81x10^-24cm³; (11)Surface Tension: 49.9 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C(=O)Nc1nc(cs1)C(=NOC)C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H20N4O6S/c1-7(15-13(22)24-14(2,3)4)10(19)17-12-16-8(6-25-12)9(11(20)21)18-23-5/h6-7H,1-5H3,(H,15,22)(H,20,21)(H,16,17,19)/b18-9+
(3)InChIKey: GGQBZAQDZRIQNC-GIJQJNRQBY
(4)Std. InChI: InChI=1S/C14H20N4O6S/c1-7(15-13(22)24-14(2,3)4)10(19)17-12-16-8(6-25-12)9(11(20)21)18-23-5/h6-7H,1-5H3,(H,15,22)(H,20,21)(H,16,17,19)/b18-9+
(5)Std. InChIKey: GGQBZAQDZRIQNC-GIJQJNRQSA-N