200,000+ products from a single source!
sales@angenechem.com
1229337-32-9 | 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 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 No: 1229337-32-9 Catalog No: AG000JS8 MDL No:
Product Description
Catalog Number:
AG000JS8
Chemical Name:
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 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 Number:
1229337-32-9
Molecular Formula:
C26H45N3O6S
Molecular Weight:
527.7170
IUPAC Name:
(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
InChI:
InChI=1S/C26H45N3O6S/c1-23(2,3)19(20(30)29-14-16-17(25(16,7)8)18(29)21(31)32)27-22(33)28-26(12-10-9-11-13-26)15-36(34,35)24(4,5)6/h16-19H,9-15H2,1-8H3,(H,31,32)(H2,27,28,33)/t16-,17-,18-,19+/m0/s1
InChI Key:
MNCDHDPDNUSTLV-CADBVGFASA-N
SMILES:
O=C(NC1(CCCCC1)CS(=O)(=O)C(C)(C)C)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C
Properties
Complexity:
996
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
527.303g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
527.721g/mol
Monoisotopic Mass:
527.303g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.