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159405-37-5 | 3-Indolizinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]octahydro-5-oxo-, methyl ester, (3S,6S,8aR)-
CAS No: 159405-37-5 Catalog No: AG001QNV MDL No:
Product Description
Catalog Number:
AG001QNV
Chemical Name:
3-Indolizinecarboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]octahydro-5-oxo-, methyl ester, (3S,6S,8aR)-
CAS Number:
159405-37-5
Molecular Formula:
C15H24N2O5
Molecular Weight:
312.3615
IUPAC Name:
methyl (3S,6S,8aR)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate
InChI:
InChI=1S/C15H24N2O5/c1-15(2,3)22-14(20)16-10-7-5-9-6-8-11(13(19)21-4)17(9)12(10)18/h9-11H,5-8H2,1-4H3,(H,16,20)/t9-,10+,11+/m1/s1
InChI Key:
RBDIIUAKDGDILT-VWYCJHECSA-N
SMILES:
COC(=O)[C@@H]1CC[C@@H]2N1C(=O)[C@H](CC2)NC(=O)OC(C)(C)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
312.169g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.366g/mol
Monoisotopic Mass:
312.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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