AG00C5Q7

386213-32-7 | Fmoc-Lys(MCA)-OH

AG00C5Q7

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CAS Number	386213-32-7
Catalog Number	AG00C5Q7(AGN-PC-0RGZ92)
Chemical Name	Fmoc-Lys(MCA)-OH
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]hexanoic acid
InChI	InChI=1S/C33H32N2O8/c1-41-21-13-14-22-20(17-31(37)43-29(22)18-21)16-30(36)34-15-7-6-12-28(32(38)39)35-33(40)42-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-11,13-14,17-18,27-28H,6-7,12,15-16,19H2,1H3,(H,34,36)(H,35,40)(H,38,39)/t28-/m0/s1
InChI Key	BWJJONDPLYEAMC-NDEPHWFRSA-N
MDL Number	MFCD03791024
Molecular Formula	C33H32N2O8
Molecular Weight	584.6158
SMILES	O=C(O)[C@H](CCCCNC(CC(C1=CC=C(OC)C=C1O2)=CC2=O)=O)NC(OCC4C3=C(C5=C4C=CC=C5)C=CC=C3)=O
Synonyms	Fmoc-Lys(Mca)-OH, 386213-32-7, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetamido)hexanoic acid, N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)-L-lysine, 6956AH, ZINC71788152, AKOS024260789, ACN-040889, CF-1384, AC-27598, ACM386213327, AK154884, CS-0100613, FT-0774167, N-alpha-(9-Fluorenylmethoxycarbonyl)-N-epsilon-[(7-methoxycoumarin-4-yl)acetyl]-L-lysine, C33H32N2O8, Fmoc-lys(MCA)-OH, 97% - 1G 1g,

Complexity	1020
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	584.215866g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	584.6g/mol
Monoisotopic Mass	584.215866g/mol
Rotatable Bond Count	13
Topological Polar Surface Area	140Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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