AG003CNE

270062-94-7 | (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid

AG003CNE

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CAS Number	270062-94-7
Catalog Number	AG003CNE(AGN-PC-0R2WHO)
Chemical Name	(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylphenyl)butanoic acid
InChI	InChI=1S/C26H25NO4/c1-17-7-6-8-18(13-17)14-19(15-25(28)29)27-26(30)31-16-24-22-11-4-2-9-20(22)21-10-3-5-12-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m0/s1
InChI Key	UKIDBCGNTDOQRO-IBGZPJMESA-N
MDL Number	MFCD01861024
Molecular Formula	C26H25NO4
Molecular Weight	415.4810
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=CC(C)=C4
Synonyms	270062-94-7, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(m-tolyl)butanoic acid, Fmoc-(S)-3-Amino-4-(3-methyl-phenyl)-butyric acid, Fmoc-(S)-3-Amino-4-(3-methylphenyl)butyric acid, Fmoc-(S)-3-amino-4-(3-methylphenyl)-butyric acid, (S)-Fmoc-3-methyl-beta-Homophe-OH, Fmoc-3-methyl-L-beta-homophenylalanine, Fmoc-(S)-3-amino-4-(3-methylphenyl)butanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylphenyl)butanoic acid, AC1MC5BY, Fmoc-?-Homophe(3-Me)-OH, SCHEMBL118243, ZINC2385951, CF-676, MFCD01861024, AKOS015948876, CS-W011661, AC-22232, ACM270062947, AJ-35254, AK114849, AS-48808, CC-28569, AX8001824, RT-012881, FT-0644257, 062F947, C-21990, (S)-3-(Fmoc-amino)-4-(3-methyl-phenyl)butanoic acid, (S)-Fmoc-3-methyl-beta-Homophe-OH, >=98.0% (HPLC), (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(m-tolyl)butanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(m-tolyl)butyric acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-m-tolylbutanoic acid, (3S)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(3-methylphenyl)butanoic acid, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(3-methylphenyl)butanoic acid, CB11866, CID2761604, FMOC- -3-AMINO-4- -BUTYRICACID, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(3-methylphenyl)butanoic Acid, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-methyl-, (betaS)-,

Complexity	601
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	415.178g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	415.489g/mol
Monoisotopic Mass	415.178g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number