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78553-23-8 | Fmoc-Asp(OtBu);-Osu
CAS No: 78553-23-8 Catalog No: AG003QMV MDL No:MFCD00057809
Product Description
Catalog Number:
AG003QMV
Chemical Name:
Fmoc-Asp(OtBu);-Osu
CAS Number:
78553-23-8
Molecular Formula:
C27H28N2O8
Molecular Weight:
508.5198
MDL Number:
MFCD00057809
IUPAC Name:
4-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanedioate
InChI:
InChI=1S/C27H28N2O8/c1-27(2,3)36-24(32)14-21(25(33)37-29-22(30)12-13-23(29)31)28-26(34)35-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,34)/t21-/m0/s1
InChI Key:
OCCFRTKCROFJLW-NRFANRHFSA-N
SMILES:
O=C(N[C@H](C(=O)ON1C(=O)CCC1=O)CC(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
508.185g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
508.527g/mol
Monoisotopic Mass:
508.185g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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