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1257849-07-2 | L-Tryptophan, 5-chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 1257849-07-2 Catalog No: AG000OPJ MDL No:MFCD16883066
Product Description
Catalog Number:
AG000OPJ
Chemical Name:
L-Tryptophan, 5-chloro-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1257849-07-2
Molecular Formula:
C26H21ClN2O4
Molecular Weight:
460.9089
MDL Number:
MFCD16883066
IUPAC Name:
(2S)-3-(5-chloro-1H-indol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C26H21ClN2O4/c27-16-9-10-23-21(12-16)15(13-28-23)11-24(25(30)31)29-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,28H,11,14H2,(H,29,32)(H,30,31)/t24-/m0/s1
InChI Key:
ZRVDPQCSRZAYPG-DEOSSOPVSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cc(Cl)cc2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
460.119g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
460.914g/mol
Monoisotopic Mass:
460.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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