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150281-21-3 | L-Homocysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 150281-21-3 Catalog No: AG001MGR MDL No:MFCD03788052
Product Description
Catalog Number:
AG001MGR
Chemical Name:
L-Homocysteine, S-[(acetylamino)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
150281-21-3
Molecular Formula:
C22H24N2O5S
Molecular Weight:
428.5014
MDL Number:
MFCD03788052
IUPAC Name:
(2S)-4-(acetamidomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C22H24N2O5S/c1-14(25)23-13-30-11-10-20(21(26)27)24-22(28)29-12-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19-20H,10-13H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t20-/m0/s1
InChI Key:
LKXJXPIRDOELQS-FQEVSTJZSA-N
SMILES:
CC(=O)NCSCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
428.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
428.503g/mol
Monoisotopic Mass:
428.141g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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