Home Sulfos L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]-

L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]-

CAS No.:
182253-73-2
Catalog Number:
AG0023JD
Molecular Formula:
C31H29N3O8S
Molecular Weight:
603.6423
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Product Description
Catalog Number:
AG0023JD
Chemical Name:
L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]-
CAS Number:
182253-73-2
Molecular Formula:
C31H29N3O8S
Molecular Weight:
603.6423
MDL Number:
MFCD02094140
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-[2-[(5-sulfonaphthalen-1-yl)amino]ethylamino]butanoic acid
InChI:
InChI=1S/C31H29N3O8S/c35-29(33-16-15-32-26-13-5-12-24-23(26)11-6-14-28(24)43(39,40)41)17-27(30(36)37)34-31(38)42-18-25-21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-14,25,27,32H,15-18H2,(H,33,35)(H,34,38)(H,36,37)(H,39,40,41)/t27-/m0/s1
InChI Key:
ZHXKVZRMHMFRBQ-MHZLTWQESA-N
SMILES:
NC(=O)C[C@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)CCNc1cccc2c1cccc2S(=O)(=O)O)C(=O)O
Properties
Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
603.168g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
603.646g/mol
Monoisotopic Mass:
603.168g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties