AG00294R

203854-59-5 | Butanoic acid, 2-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-3-methyl-, (2S)-

AG00294R

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CAS Number	203854-59-5
Catalog Number	AG00294R(AGN-PC-0QU2H0)
Chemical Name	Butanoic acid, 2-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-3-methyl-, (2S)-
IUPAC Name	(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoic acid
InChI	InChI=1S/C21H23NO4/c1-13(2)18(20(23)24)11-22-21(25)26-12-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChI Key	WVHQNPPGMKCPTP-GOSISDBHSA-N
MDL Number	MFCD07372881
Molecular Formula	C21H23NO4
Molecular Weight	353.4116
SMILES	CC(C)[C@@H](CNC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(O)=O
Synonyms	203854-59-5, (S)-2-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-3-methylbutanoic acid, Fmoc-(S)-2-(aminomethyl)-3-methylbutanoic acid, AK119230, (S)-2-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-METHYL]-3-METHYL-BUTYRIC ACID, BICR139, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoic acid, DTXSID40719306, (S)-FMOC-BETA2-HOMOVALINE, KS-00000R0T, 0449AB, MFCD07372881, ZINC40710635, AKOS016843967, AB35723, CX86231, FCH2812966, AJ-103735, AX8244646, ST24035785, A-8529, (2S)-N-(9H-Fluorene-9-ylmethoxycarbonyl)-2-isopropyl-beta-alanine, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methyl-butyric acid, (2S)-2-[({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)methyl]-3-methylbutanoic acid, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methyl-butanoic Acid, (2S)-2-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-3-methylbutanoic acid, Butanoic acid, 2-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-3-methyl-, (2S)-, C21H23NO4, ACN-049848,

Complexity	484
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	353.163g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	353.418g/mol
Monoisotopic Mass	353.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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