AG00ADTW

193887-45-5 | (S)-Fmoc-beta2-homoleucine

AG00ADTW

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CAS Number	193887-45-5
Catalog Number	AG00ADTW(AGN-PC-0QMF5P)
Chemical Name	(S)-Fmoc-beta2-homoleucine
IUPAC Name	(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoic acid
InChI	InChI=1S/C22H25NO4/c1-14(2)11-15(21(24)25)12-23-22(26)27-13-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,14-15,20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChI Key	ONRQUNUKPSDFFF-HNNXBMFYSA-N
MDL Number	MFCD07372888
Molecular Formula	C22H25NO4
Molecular Weight	367.4382
SMILES	CC(C)C[C@@H](CNC(OCC2C1=C(C3=C2C=CC=C3)C=CC=C1)=O)C(O)=O
Synonyms	193887-45-5, (S)-2-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)-4-methylpentanoic acid, (S)-FMOC-BETA2-HOMOLEUCINE, Fmoc-(S)-2-(aminomethyl)-4-methylpentanoic acid, BICR141, DTXSID10464932, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoic acid, KS-00001G4Q, 0043AB, 6543AD, MFCD07372888, ZINC40710651, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methyl-pentanoic Acid, AKOS015950061, AB35740, CX30199, FCH2812967, (S)-2-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-METHYL]-4-METHYL-PENTANOIC ACID, AK119215, AS-32292, AJ-103739, AX8244631, CS-0038228, FT-0772037, ST24035786, A-8530, (S)-2-[(N-Fmoc-amino)methyl]-4-methylpentanoic acid, (2S)-N-(9H-Fluorene-9-ylmethoxycarbonyl)-2-isobutyl-beta-alanine, (2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methyl-valeric acid, (2S)-2-[({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)methyl]-4-methylpentanoic acid, (2S)-2-[[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]methyl]-4-methylpentanoic acid, C12H16N2O2S, C22H25NO4, N,N-diallyl-4-aminobenzenesulfonamide, CID11405946, 193891-96-2,

Complexity	498
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	367.178g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	367.445g/mol
Monoisotopic Mass	367.178g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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