[(1R)-2-cyclobutyl-1-({[(1R,2S,5S)-3-(N-{[(1S)-2,2-dimethyl-1-{[methyl(methylsulfonyl)amino]methyl}propyl]carbamoyl}-3-methyl-L-valyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl]carbonyl}amino)ethyl]boronic acid (Q27458356)

boronic acid derivative, 17 (English)

19 October 2016

chemical formula

C₂₉H₅₄BN₅O₇S

1 reference

boronic acid derivative, 17 (English)

19 October 2016

canonical SMILES

B(C(CC1CCC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC(CN(C)S(=O)(=O)C)C(C)(C)C)(O)O

1 reference

boronic acid derivative, 17 (English)

19 October 2016

isomeric SMILES

B([C@H](CC1CCC1)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)(O)O

1 reference

boronic acid derivative, 17 (English)

InChI=1S/C29H54BN5O7S/c1-27(2,3)19(16-34(9)43(10,41)42)31-26(38)33-23(28(4,5)6)25(37)35-15-18-21(29(18,7)8)22(35)24(36)32-20(30(39)40)14-17-12-11-13-17/h17-23,39-40H,11-16H2,1-10H3,(H,32,36)(H2,31,33,38)/t18-,19+,20-,21-,22-,23+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

boronic acid derivative, 17 (English)

KGZWDDBJGGJYLY-WKOLOUIMSA-N

19 October 2016

InChIKey

1 reference

boronic acid derivative, 17 (English)

19 October 2016

1 reference

{(1R)-2-Cyclobutyl-1-[({(1R,2S,5S)-3-[N-({(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]-2-butanyl}carbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hex-2-yl}carbonyl)amino]ethyl}boronic (English)

19 October 2016

2 references