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600737-79-9 | 3-Iodo-N-[(benzyloxy)carbonyl]-O-benzyl-L-tyrosine Benzyl Ester
CAS No: 600737-79-9 Catalog No: AG00EERN MDL No:
Product Description
Catalog Number:
AG00EERN
Chemical Name:
3-Iodo-N-[(benzyloxy)carbonyl]-O-benzyl-L-tyrosine Benzyl Ester
CAS Number:
600737-79-9
IUPAC Name:
benzyl (2S)-3-(3-iodo-4-phenylmethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
InChI:
InChI=1S/C31H28INO5/c32-27-18-26(16-17-29(27)36-20-23-10-4-1-5-11-23)19-28(30(34)37-21-24-12-6-2-7-13-24)33-31(35)38-22-25-14-8-3-9-15-25/h1-18,28H,19-22H2,(H,33,35)/t28-/m0/s1
InChI Key:
SKKRRRPVGNIWKT-NDEPHWFRSA-N
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
621.101g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
621.471g/mol
Monoisotopic Mass:
621.101g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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