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148515-87-1 | L-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]oxy]-4-methoxyphenyl]methyl]-
CAS No: 148515-87-1 Catalog No: AG001KYZ MDL No:
Product Description
Catalog Number:
AG001KYZ
Chemical Name:
L-Leucine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]oxy]-4-methoxyphenyl]methyl]-
CAS Number:
148515-87-1
Molecular Formula:
C44H41NO8
Molecular Weight:
711.7982
IUPAC Name:
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[[2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-methoxyphenyl]methyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C44H41NO8/c1-27(2)22-40(42(46)47)45(43(48)51-25-38-34-16-8-4-12-30(34)31-13-5-9-17-35(31)38)24-28-20-21-29(50-3)23-41(28)53-44(49)52-26-39-36-18-10-6-14-32(36)33-15-7-11-19-37(33)39/h4-21,23,27,38-40H,22,24-26H2,1-3H3,(H,46,47)/t40-/m0/s1
InChI Key:
ZFZVDKKVQNKRCW-FAIXQHPJSA-N
SMILES:
COc1ccc(c(c1)OC(=O)OCC1c2ccccc2c2c1cccc2)CN([C@H](C(=O)O)CC(C)C)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
711.283g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
711.811g/mol
Monoisotopic Mass:
711.283g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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