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158257-40-0 | Heptanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-hydroxy-6-methyl-, (3S,4S)-
CAS No: 158257-40-0 Catalog No: AG001Q2S MDL No:MFCD0006567
Product Description
Catalog Number:
AG001Q2S
Chemical Name:
Heptanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-hydroxy-6-methyl-, (3S,4S)-
CAS Number:
158257-40-0
Molecular Formula:
C23H27NO5
Molecular Weight:
397.4642
MDL Number:
MFCD0006567
IUPAC Name:
(3S,4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-6-methylheptanoic acid
InChI:
InChI=1S/C23H27NO5/c1-14(2)11-20(21(25)12-22(26)27)24-23(28)29-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-21,25H,11-13H2,1-2H3,(H,24,28)(H,26,27)/t20-,21-/m0/s1
InChI Key:
JGUYYODGVQXZAY-SFTDATJTSA-N
SMILES:
CC(C[C@@H]([C@H](CC(=O)O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
397.189g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
397.471g/mol
Monoisotopic Mass:
397.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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