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Home > Fluorides > 163619-04-3
163619-04-3 | D-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 163619-04-3 Catalog No: AG001UA0 MDL No:MFCD00153367
Product Description
Catalog Number:
AG001UA0
Chemical Name:
D-Tryptophan, 1-[(1,1-dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
163619-04-3
Molecular Formula:
C31H30N2O6
Molecular Weight:
526.5797
MDL Number:
MFCD00153367
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
InChI:
InChI=1S/C31H30N2O6/c1-31(2,3)39-30(37)33-17-19(20-10-8-9-15-27(20)33)16-26(28(34)35)32-29(36)38-18-25-23-13-6-4-11-21(23)22-12-5-7-14-24(22)25/h4-15,17,25-26H,16,18H2,1-3H3,(H,32,36)(H,34,35)/t26-/m1/s1
InChI Key:
ADOHASQZJSJZBT-AREMUKBSSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1cn(c2c1cccc2)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
526.21g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
526.589g/mol
Monoisotopic Mass:
526.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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