AG003QME

269062-80-8 | Fmoc-(Nd-1-(4,4-dimethyl-2,6-dioxo-cyclohex-1-ylidene)ethyl)-L-ornithine

AG003QME

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CAS Number	269062-80-8
Catalog Number	AG003QME(AGN-PC-0R2TBG)
Chemical Name	Fmoc-(Nd-1-(4,4-dimethyl-2,6-dioxo-cyclohex-1-ylidene)ethyl)-L-ornithine
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]pentanoic acid
InChI	InChI=1S/C30H34N2O6/c1-18(27-25(33)15-30(2,3)16-26(27)34)31-14-8-13-24(28(35)36)32-29(37)38-17-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,23-24,33H,8,13-17H2,1-3H3,(H,32,37)(H,35,36)/t24-/m0/s1
InChI Key	HJKFYXWSCAFRFO-DEOSSOPVSA-N
MDL Number	MFCD01862895
Molecular Formula	C30H34N2O6
Molecular Weight	518.6008
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCCN/C(C)=C4C(CC(C)(C)CC4=O)=O
Synonyms	Fmoc-Orn(Dde)-OH, 269062-80-8, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)pentanoic acid, Fmoc-(Nd-1-(4,4-dimethyl-2,6-dioxo-cyclohex-1-ylidene)ethyl)-L-ornithine, C30H34N2O6, SCHEMBL119272, CTK8C5141, DTXSID50583378, RSDSRRQRYNCVMT-DEOSSOPVSA-N, KS-000026BO, ANW-74340, CF-837, MFCD01862895, AKOS015901450, N-Fmoc-(N'-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl)-L-ornithine, ZINC100007889, ACN-044419, GS-6533, RTR-012119, VA50399, (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-5-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino)pentanoic acid, AC-26601, AJ-67849, AK-61253, AM808150, AN-29256, SC-10400, AX8001977, CS-0020129, FT-0644179, Z1935, 062F808, C-23052, J-016597, I14-15345, N-|A-Fmoc-N-|A-1-(4,4-dimethyl-2,6-dioxocyclohex-1-y, (2S)-5-[1-(4,4-dimethyl-2,6-dioxo-cyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid, (2S)-5-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid, (2S)-5-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl, L-Ornithine, N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, L-Ornithine,N5-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-, N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-gamma-[1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl]-L-ornithine, N~5~-[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]-N~2~-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-ornithine, FMOC-ORN -OH, Fmoc-Orn(Dde)-OH - 1G 1g, CB12085, A7946,

Complexity	948
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	518.242g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	518.61g/mol
Monoisotopic Mass	518.242g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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