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278597-95-8 | L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucyl-O-2-propenyl- (9CI)
CAS No: 278597-95-8 Catalog No: AG002UYJ MDL No:
Product Description
Catalog Number:
AG002UYJ
Chemical Name:
L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-leucyl-O-2-propenyl- (9CI)
CAS Number:
278597-95-8
Molecular Formula:
C33H36N2O6
Molecular Weight:
556.6487
IUPAC Name:
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]-3-(4-prop-2-enoxyphenyl)propanoic acid
InChI:
InChI=1S/C33H36N2O6/c1-4-17-40-23-15-13-22(14-16-23)19-30(32(37)38)34-31(36)29(18-21(2)3)35-33(39)41-20-28-26-11-7-5-9-24(26)25-10-6-8-12-27(25)28/h4-16,21,28-30H,1,17-20H2,2-3H3,(H,34,36)(H,35,39)(H,37,38)/t29-,30-/m0/s1
InChI Key:
LARZJVDDVPIPMD-KYJUHHDHSA-N
SMILES:
C=CCOc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2c2c1cccc2)CC(C)C
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
556.257g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
556.659g/mol
Monoisotopic Mass:
556.257g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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