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201531-77-3 | D-Valine, 3-[[(acetylamino)methyl]thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 201531-77-3 Catalog No: AG002DHA MDL No:MFCD00151934
Product Description
Catalog Number:
AG002DHA
Chemical Name:
D-Valine, 3-[[(acetylamino)methyl]thio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
201531-77-3
Molecular Formula:
C23H26N2O5S
Molecular Weight:
442.5279
MDL Number:
MFCD00151934
IUPAC Name:
(2S)-3-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C23H26N2O5S/c1-14(26)24-13-31-23(2,3)20(21(27)28)25-22(29)30-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-13H2,1-3H3,(H,24,26)(H,25,29)(H,27,28)/t20-/m0/s1
InChI Key:
HJXCJYNKTHOYRD-FQEVSTJZSA-N
SMILES:
CC(=O)NCSC([C@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)(C)C
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
442.156g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
442.53g/mol
Monoisotopic Mass:
442.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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