Name: 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)-
Brand: Angene
SKU: AG000JS8
Rating: 90 (10 reviews)

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 Number:

AG000JS8

Molecular Formula:

C26H45N3O6S

Molecular Weight:

527.7170

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

MDL Number:

MFCD22124665

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

Complexity:

996

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

527.303g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

527.721g/mol

Monoisotopic Mass:

527.303g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

141A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1