AG001OVW

156648-40-7 | L-Lysine, N2-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N6-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG001OVW

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CAS Number	156648-40-7
Catalog Number	AG001OVW(AGN-PC-0Q74US)
Chemical Name	L-Lysine, N2-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N6-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]hexanoic acid
InChI	InChI=1S/C31H36N2O6/c1-19(28-26(34)16-31(2,3)17-27(28)35)33-25(29(36)37)14-8-9-15-32-30(38)39-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h4-7,10-13,24-25,34H,8-9,14-18H2,1-3H3,(H,32,38)(H,36,37)/t25-/m0/s1
InChI Key	HJGADLBSAXYSSH-VWLOTQADSA-N
MDL Number	MFCD00467662
Molecular Formula	C31H36N2O6
Molecular Weight	532.6273
SMILES	CC1(CC(C(C(C1)=O)=C(C)N[C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)C(=O)O)=O)C
Synonyms	Dde-Lys(Fmoc)-OH, 156648-40-7, dde-l-lys(fmoc)-oh, (S)-6-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)hexanoic acid, MFCD00467662, N-a-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-e-Fmoc-L-lysine, n-alpha-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-n-epsilon-fmoc-l-lysine, AK-49430, dde-lysine(fmoc)-oh, SCHEMBL3502087, CTK0H3880, DTXSID80679793, (2S)-2-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid, ZINC15722084, AKOS015911819, AJ-67840, DS-15038, SC-09700, AB0020262, AX8032094, FT-0660778, ST24036234, V1089, 648D407, J-009328, I14-37782, N-1-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N'-Fmoc-L-lysine, (S)-6-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino)hexanoic acid, L-Lysine, N2-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N6-[(9H-fluoren-9-ylmethoxy)carbonyl]-, N-alpha-(4,4-Dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine, N~2~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]-N~6~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-lysine, Dde-Lys(Fmoc)-OH - 1G 1g, C31H36N2O6,

Complexity	964
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	532.257g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	532.637g/mol
Monoisotopic Mass	532.257g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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