AG0023JD

182253-73-2 | L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]-

AG0023JD

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CAS Number	182253-73-2
Catalog Number	AG0023JD(AGN-PC-0QC6KY)
Chemical Name	L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[2-[(5-sulfo-1-naphthalenyl)amino]ethyl]-
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
MDL Number	MFCD02094140
Molecular Formula	C31H29N3O8S
Molecular Weight	603.6423
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC(NCCNC4=C5C=CC=C(S(=O)(O)=O)C5=CC=C4)=O
Synonyms	Fmoc-Asp(Edans)-OH, 182253-73-2, KS-00000SYT, MFCD02094140, ZINC71788165, AKOS025289452, DS-7553, N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N4-(2-((5-sulfonaphthalen-1-yl)amino)ethyl)-L-asparagine,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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