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198545-00-5 | 10-Oxa-2,8-diaza-13-silatetradecanoic acid, 3-carboxy-13,13-dimethyl-9-oxo-, 1-(9H-fluoren-9-ylmethyl) ester, (3R)-
CAS No: 198545-00-5 Catalog No: AG002BM0 MDL No:MFCD01075099
Product Description
Catalog Number:
AG002BM0
Chemical Name:
10-Oxa-2,8-diaza-13-silatetradecanoic acid, 3-carboxy-13,13-dimethyl-9-oxo-, 1-(9H-fluoren-9-ylmethyl) ester, (3R)-
CAS Number:
198545-00-5
Molecular Formula:
C27H36N2O6Si
Molecular Weight:
512.6700
MDL Number:
MFCD01075099
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(2-trimethylsilylethoxycarbonylamino)hexanoic acid
InChI:
InChI=1S/C27H36N2O6Si/c1-36(2,3)17-16-34-26(32)28-15-9-8-14-24(25(30)31)29-27(33)35-18-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,23-24H,8-9,14-18H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t24-/m1/s1
InChI Key:
OPNHWQULKLODEU-XMMPIXPASA-N
SMILES:
O=C(N[C@@H](C(=O)O)CCCCNC(=O)OCC[Si](C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
512.234g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
512.678g/mol
Monoisotopic Mass:
512.234g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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