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157675-78-0 | L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanyl-O-(1,1-dimethylethyl)-
CAS No: 157675-78-0 Catalog No: AG001PMH MDL No:
Product Description
Catalog Number:
AG001PMH
Chemical Name:
L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanyl-O-(1,1-dimethylethyl)-
CAS Number:
157675-78-0
Molecular Formula:
C31H34N2O6
Molecular Weight:
530.6115
IUPAC Name:
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
InChI:
InChI=1S/C31H34N2O6/c1-31(2,3)39-19-27(29(35)36)32-28(34)26(17-20-11-5-4-6-12-20)33-30(37)38-18-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25/h4-16,25-27H,17-19H2,1-3H3,(H,32,34)(H,33,37)(H,35,36)/t26-,27-/m0/s1
InChI Key:
INUVWIJXMJVBLO-SVBPBHIXSA-N
SMILES:
O=C(N[C@H](C(=O)N[C@H](C(=O)O)COC(C)(C)C)Cc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
813
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
530.242g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
530.621g/mol
Monoisotopic Mass:
530.242g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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