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Boc-Thr(Leu-Fmoc)-OH

CAS No.:
944283-27-6
Catalog Number:
AG00VQY9
Molecular Formula:
C30H38N2O8
Molecular Weight:
554.6313
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Product Description
Catalog Number:
AG00VQY9
Chemical Name:
Boc-Thr(Leu-Fmoc)-OH
CAS Number:
944283-27-6
Molecular Formula:
C30H38N2O8
Molecular Weight:
554.6313
MDL Number:
MFCD11974989
IUPAC Name:
(2S,3R)-3-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C30H38N2O8/c1-7-17(2)24(27(35)39-18(3)25(26(33)34)32-29(37)40-30(4,5)6)31-28(36)38-16-23-21-14-10-8-12-19(21)20-13-9-11-15-22(20)23/h8-15,17-18,23-25H,7,16H2,1-6H3,(H,31,36)(H,32,37)(H,33,34)/t17-,18+,24-,25-/m0/s1
InChI Key:
DVXQNNYVNXVLDP-MSFWWKAZSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C)NC(=O)OCC1c2ccccc2c2c1cccc2)C C30H38N2O8
Properties
Complexity:
881  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
554.263g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
554.64g/mol
Monoisotopic Mass:
554.263g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties