AG00I54D

270062-86-7 | Benzenebutanoic acid,4-bromo-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-

AG00I54D

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CAS Number	270062-86-7
Catalog Number	AG00I54D(AGN-PC-0R2WEV)
Chemical Name	Benzenebutanoic acid,4-bromo-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-
IUPAC Name	(3S)-4-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C25H22BrNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1
InChI Key	SZPFLELHTJMABC-SFHVURJKSA-N
MDL Number	MFCD01861016
Molecular Formula	C25H22BrNO4
Molecular Weight	480.3505
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(Br)C=C4
Synonyms	270062-86-7, Fmoc-(S)-3-Amino-4-(4-bromo-phenyl)-butyric acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-bromophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(4-bromophenyl)butyric acid, Fmoc-4-bromo-L-beta-homophenylalanine, (3S)-4-(4-bromophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid, (3S)-4-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid, Fmoc-(S)-3-amino-4-(4-bromophenyl)butanoic acid, AC1MC5AY, Fmoc-?-Homophe(4-Br)-OH, Fmoc-4-bromo-L-b-homophenylalanine, ZINC2385941, CF-422, MFCD01861016, AKOS015948795, AC-22149, ACM270062867, AJ-35249, CC-28573, PS-12251, AX8001727, RT-012889, CS-0059676, FT-0644250, A-8174, 062F867, C-22796, (S)-3-(9H-Fluorene-9-ylmethoxycarbonylamino)-4-(4-bromophenyl)butyric acid, (3S)-4-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butyric acid, (3S)-4-(4-bromophenyl)-3-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-bromophenyl)butanoic acid, CID2761592, FMOC- -3-AMINO-4- -BUTYRICACID, Fmoc-(S)-3-amino-4-(4-bromophenyl)-butyric acid, (3R)-4-(4-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic Acid, Benzenebutanoic acid, 4-bromo-beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-, Benzenebutanoic acid,4-bromo-b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(bS)-,

Complexity	599
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	479.073g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	480.358g/mol
Monoisotopic Mass	479.073g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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