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229614-10-2 | Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl ester, (1R,2R,3S,4S)-rel-
CAS No: 229614-10-2 Catalog No: AG002LOK MDL No:
Product Description
Catalog Number:
AG002LOK
Chemical Name:
Cyclopentanecarboxylic acid, 3-[(1S)-1-(acetylamino)-2-ethylbutyl]-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl ester, (1R,2R,3S,4S)-rel-
CAS Number:
229614-10-2
Molecular Formula:
C20H36N2O6
Molecular Weight:
400.5096
IUPAC Name:
methyl (1R,2R,3S,4S)-3-[(1S)-1-acetamido-2-ethylbutyl]-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
InChI:
InChI=1S/C20H36N2O6/c1-8-12(9-2)16(21-11(3)23)15-14(22-19(26)28-20(4,5)6)10-13(17(15)24)18(25)27-7/h12-17,24H,8-10H2,1-7H3,(H,21,23)(H,22,26)/t13-,14+,15+,16+,17+/m1/s1
InChI Key:
YMZFCNQNTWLIEW-XAJHFOFHSA-N
SMILES:
CCC([C@@H]([C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]([C@@H]1O)C(=O)OC)NC(=O)C)CC
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
400.257g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.516g/mol
Monoisotopic Mass:
400.257g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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