Home Carboxys Cyclopenta[c]pyrrole-1-carboxylic acid,2-[(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-

Cyclopenta[c]pyrrole-1-carboxylic acid,2-[(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-

CAS No.:
926276-18-8
Catalog Number:
AG00IHA6
Molecular Formula:
C26H45N3O4
Molecular Weight:
463.6532
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Product Description
Catalog Number:
AG00IHA6
Chemical Name:
Cyclopenta[c]pyrrole-1-carboxylic acid,2-[(2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-3,3-dimethyl-1-oxobutyl]octahydro-, 1,1-dimethylethyl ester, (1S,3aR,6aS)-
CAS Number:
926276-18-8
Molecular Formula:
C26H45N3O4
Molecular Weight:
463.6532
MDL Number:
MFCD22573346
IUPAC Name:
tert-butyl 2-[2-[(2-amino-2-cyclohexylacetyl)amino]-3,3-dimethylbutanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
InChI:
InChI=1S/C26H45N3O4/c1-25(2,3)21(28-22(30)19(27)16-11-8-7-9-12-16)23(31)29-15-17-13-10-14-18(17)20(29)24(32)33-26(4,5)6/h16-21H,7-15,27H2,1-6H3,(H,28,30)
InChI Key:
LLEPKFITUHEOIF-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC(C)(C)C)CCC2)C1CCCCC1
EC Number:
618-869-5
Properties
Complexity:
733  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
463.341g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
463.663g/mol
Monoisotopic Mass:
463.341g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
5  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Properties