3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-
CAS Registry Number®
1208245-90-2
CAS Name
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-Molecular Formula
C36H63N5O7SMolecular Mass
709.98Cite this Page
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1208245-90-2 (retrieved ) (CAS RN: 1208245-90-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27?,28+/m0/s1
InChIKey
InChIKey=BZXRATSZUNDEEV-XUVLPORMSA-N
SMILES
C(N[C@H](C(C(NC1CC1)=O)O)CCCC)(=O)[C@@H]2[C@@]3([C@@](C3(C)C)(CN2C([C@@H](NC(NC4(CS(C(C)(C)C)(=O)=O)CCCCC4)=O)[C@](C)(C)C)=O)[H])[H]
Canonical SMILES
O=C(NC(C(=O)N1CC2C(C1C(=O)NC(CCCC)C(O)C(=O)NC3CC3)C2(C)C)C(C)(C)C)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
Other Names for this Substance
- 3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-, (1R,2S,5S)-
