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163336-15-0 | D-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 163336-15-0 Catalog No: AG001U1J MDL No:MFCD00151883
Product Description
Catalog Number:
AG001U1J
Chemical Name:
D-Ornithine, N2-[(1,1-dimethylethoxy)carbonyl]-N5-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
163336-15-0
Molecular Formula:
C25H30N2O6
Molecular Weight:
454.5155
MDL Number:
MFCD00151883
IUPAC Name:
(2R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI:
InChI=1S/C25H30N2O6/c1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m1/s1
InChI Key:
YEBWACZYMHWWEK-OAQYLSRUSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
454.21g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
454.523g/mol
Monoisotopic Mass:
454.21g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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