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1251904-35-4 |
CAS No: 1251904-35-4 Catalog No: AG000NC1 MDL No:
Product Description
Catalog Number:
AG000NC1
CAS Number:
1251904-35-4
Molecular Formula:
C15H26ClNO5
Molecular Weight:
335.8236
IUPAC Name:
tert-butyl (2R)-6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
InChI:
InChI=1S/C15H26ClNO5/c1-14(2,3)21-12(19)11(8-7-10(18)9-16)17-13(20)22-15(4,5)6/h11H,7-9H2,1-6H3,(H,17,20)/t11-/m1/s1
InChI Key:
YAVBUNUPPHQFPT-LLVKDONJSA-N
SMILES:
ClCC(=O)CC[C@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
335.15g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.825g/mol
Monoisotopic Mass:
335.15g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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