AG002NPX

235788-61-1 | Butanoic acid, 4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-

AG002NPX

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CAS Number	235788-61-1
Catalog Number	AG002NPX(AGN-PC-0QZS8A)
Chemical Name	Butanoic acid, 4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylideneamino]butanoic acid
InChI	InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)30-13-12-23(27(34)35)31-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,32H,12-16H2,1-3H3,(H,31,36)(H,34,35)/t23-/m0/s1
InChI Key	AFBHGOUICAXOQZ-QHCPKHFHSA-N
MDL Number	MFCD11111552
Molecular Formula	C29H32N2O6
Molecular Weight	504.5742
SMILES	O=C(O)[C@@H](NC(OCC2C1=C(C3=C2C=CC=C3)C=CC=C1)=O)CCN/C(C)=C4C(CC(C)(C)CC4=O)=O
Synonyms	Fmoc-Dab(Dde)-OH, N(alpha)--fluorenylmethyloxycarbonylamino-4N-(1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)butyric acid, Fmoc-Dab(Dde)-OH, 235788-61-1, Fmoc-L-Dab(Dde)-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl)amino)butanoic acid, fmoc-(n-gamma-1-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl)-l-alpha,gamma-diaminobutyric acid, CTK8E9965, DTXSID20673972, ZINC38528694, AKOS022181405, AJ-95464, AK-61247, SC-73573, RT-012984, TR-061865, CS-0047631, A-8394, Na-Fmoc-Ng-(4,4-dimethyl-2,6-dioxocyclohex-1-ylidene)ethyl-L-2,4-diaminobutyric acid, (2S)-4-[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, (2S)-4-{[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid, Butanoic acid, 4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino]-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-, (2S)-4-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid,

Complexity	932
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	504.226g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	504.583g/mol
Monoisotopic Mass	504.226g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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