CARBAMIC ACID, N-[(1S)-2-[(1S,3S,5S)-3-CYANO-2-AZABICYCLO[3.1.0]HEX-2-YL]-1-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1-YL)-2-OXOETHYL]-, 1,1-DIMETHYLETHYL ESTER

pro_cas
709031-43-6
pro_cdbregno
CCD03040553
pro_formula
C23 H33 N3 O4
pro_molWeight
415.531

basic_info

Product_Name: CARBAMIC ACID, N-[(1S)-2-[(1S,3S,5S)-3-CYANO-2-AZABICYCLO[3.1.0]HEX-2-YL]-1-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1-YL)-2-OXOETHYL]-, 1,1-DIMETHYLETHYL ESTER
CAS: 709031-43-6
EnglishSynonyms: CARBAMIC ACID, N-[(1S)-2-[(1S,3S,5S)-3-CYANO-2-AZABICYCLO[3.1.0]HEX-2-YL]-1-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1-YL)-2-OXOETHYL]-,1,1-DIMETHYLETHYL ESTER ; CARBAMIC ACID, N-[(1S)-2-[(1S,3S,5S)-3-CYANO-2-AZABICYCLO[3.1.0]HEX-2-YL]-1-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1-YL)-2-OXOETHYL]-, 1,1-DIMETHYLETHYL ESTER ; N-[(1S)-2-[(1S,3S,5S)-3-CYANO-2-AZABICYCLO[3.1.0]HEX-2-YL]-1-(3-HYDROXYTRICYCLO[3.3.1.1(3,7)]DEC-1-YL)-2-OXOETHYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER ; N-[(1S)-2-[(1S,3S,5S)-3-CYANO-2-AZABICYCLO[3.1.0]HEX-2-YL]-1-(3-HYDROXYTRICYCLO[3.3.1.13,7]DEC-1-YL)-2-OXOETHYL]CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
pro_mdlNumber: MFCD16660447
pro_acceptors: 7
pro_donors: 2
pro_smile: CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@@H](C[C@H]2[C@@H]1C2)C#N)[C@]34C[C@@H]5C[C@H](C3)C[C@@](C5)(C4)O
InChi: InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)/t13-,14+,15-,16+,17+,18-,22+,23-/m1/s1
InChiKey: InChIKey=DZEAFYQJPRVNIQ-LQBMAHLQSA-N

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