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Home > Fluorides > 139551-73-8
139551-73-8 | D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(phenylmethyl)thio]-
CAS No: 139551-73-8 Catalog No: AG001B9S MDL No:MFCD00151936
Product Description
Catalog Number:
AG001B9S
Chemical Name:
D-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-[(phenylmethyl)thio]-
CAS Number:
139551-73-8
Molecular Formula:
C27H27NO4S
Molecular Weight:
461.5726
MDL Number:
MFCD00151936
IUPAC Name:
(2S)-3-benzylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C27H27NO4S/c1-27(2,33-17-18-10-4-3-5-11-18)24(25(29)30)28-26(31)32-16-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,16-17H2,1-2H3,(H,28,31)(H,29,30)/t24-/m0/s1
InChI Key:
YVXKVWYRXVISMT-DEOSSOPVSA-N
SMILES:
O=C(N[C@H](C(SCc1ccccc1)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
461.166g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
461.576g/mol
Monoisotopic Mass:
461.166g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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