AG000K3N

1231709-22-0 | D-Isovaline, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-

AG000K3N

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CAS Number	1231709-22-0
Catalog Number	AG000K3N(AGN-PC-0WANG2)
Chemical Name	D-Isovaline, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
IUPAC Name	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoic acid
InChI	InChI=1S/C20H21NO4/c1-3-20(2,18(22)23)21-19(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23)/t20-/m1/s1
InChI Key	DZSLHAJXIQCMLR-HXUWFJFHSA-N
MDL Number	MFCD12031689
Molecular Formula	C20H21NO4
Molecular Weight	339.3850
SMILES	CC[C@@](C)(NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(O)=O
Synonyms	1231709-22-0, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylbutanoic acid, Fmoc-D-isovaline, AK163821, DZSLHAJXIQCMLR-HXUWFJFHSA-N, SCHEMBL14956503, KS-00000SPA, MFCD12031689, ZINC36914694, AKOS025117415, ACN-040862, DS-8340, FCH2844655, Fmoc-(R)-2-amino-2-methylbutanoic acid, AX8294931, D-Isovaline, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-butyric acid, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoic acid, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-butanoic acid, (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-2-methylbutanoic acid, (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-methylbutanoic acid, (R)-N-alpha-(9-Fluorenylmethyloxycarbonyl)-alpha-ethylalanine (>98%, >98%ee), N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isovaline, N/A,

Complexity	486
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	339.147g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	339.391g/mol
Monoisotopic Mass	339.147g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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