AG002P62

247127-51-1 | L-​Alanine, 3-​[[1-​(4,​4-​dimethyl-​2,​6-​dioxocyclohexylidene​)​ethyl]​amino]​-​N-​[(9H-​fluoren-​9-​ylmethoxy)​carbonyl]​-

AG002P62

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CAS Number	247127-51-1
Catalog Number	AG002P62(AGN-PC-0R0HHJ)
Chemical Name	L-​Alanine, 3-​[[1-​(4,​4-​dimethyl-​2,​6-​dioxocyclohexylidene​)​ethyl]​amino]​-​N-​[(9H-​fluoren-​9-​ylmethoxy)​carbonyl]​-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]propanoic acid
InChI	InChI=1S/C28H30N2O6/c1-16(25-23(31)12-28(2,3)13-24(25)32)29-14-22(26(33)34)30-27(35)36-15-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21-22,31H,12-15H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
InChI Key	GIPBZQFNSMWQIL-QFIPXVFZSA-N
MDL Number	MFCD01631974
Molecular Formula	C28H30N2O6
Molecular Weight	490.5476
SMILES	C(OC(=O)N[C@@H](CNC(=C1C(=O)CC(CC1=O)(C)C)C)C(=O)O)C1c2c(c3c1cccc3)cccc2
Synonyms	247127-51-1, Fmoc-Dap(Dde)-OH, fmoc-(n-beta-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl)-l-alpha,beta-diaminopropionic acid, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)propanoic acid, N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-beta-[(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl]-2,3-diaminopropionic acid, SCHEMBL14628067, CTK8E9967, DTXSID00673970, 8298AD, MFCD01631974, AKOS022184288, ZINC100140898, RTR-061859, ACM247127511, AJ-95462, AK-88066, TR-061859, FT-0696171, A-8187, I04-1263, I14-15383, Na-Fmoc-Nb-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-L-2,3-diaminopropionic acid, (2S)-3-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid, 3-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-alanine, L-Alanine, 3-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, N-(9H-Fluorene-9-ylmethoxycarbonyl)-3-[1-(2,6-dioxo-4,4-dimethylcyclohexylidene)ethylamino]-L-alanine, Fmoc-Dap(Dde)-OH - 1G 1g, C28H30N2O6,

Complexity	916
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	490.21g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	490.556g/mol
Monoisotopic Mass	490.21g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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