AG00BCWE

270062-88-9 | Fmoc-(S)-3-Amino-4-(4-nitro-phenyl)-butyric acid

AG00BCWE

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CAS Number	270062-88-9
Catalog Number	AG00BCWE(AGN-PC-0R2WFJ)
Chemical Name	Fmoc-(S)-3-Amino-4-(4-nitro-phenyl)-butyric acid
IUPAC Name	(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid
InChI	InChI=1S/C25H22N2O6/c28-24(29)14-17(13-16-9-11-18(12-10-16)27(31)32)26-25(30)33-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,17,23H,13-15H2,(H,26,30)(H,28,29)/t17-/m0/s1
InChI Key	HBORLQMDGYDDBJ-KRWDZBQOSA-N
MDL Number	MFCD01861018
Molecular Formula	C25H22N2O6
Molecular Weight	446.4520
SMILES	O=C(O)C[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C([N+]([O-])=O)C=C4
Synonyms	270062-88-9, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(4-nitrophenyl)butanoic acid, Fmoc-(S)-3-Amino-4-(4-nitro-phenyl)-butyric acid, Fmoc-(S)-3-Amino-4-(4-nitrophenyl)butyric acid, Fmoc-4-nitro-L-beta-homophenylalanine, AC1MC5BA, Fmoc-?-Homophe(4-NO2)-OH, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitrophenyl)butanoic acid, Fmoc-4-nitro-L-b-homophenylalanine, ZINC2385944, CF-435, MFCD01861018, AKOS015948824, AC-22244, ACM270062889, AJ-35251, AK114847, CC-28579, PS-12256, AX8001739, RT-012903, CS-0062158, FT-0644252, A-8438, 062F889, C-22429, (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-nitrophenyl)butanoic acid, (S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(4-nitrophenyl)butanoic acid, HBORLQMDGYDDBJ-KRWDZBQOSA-N, CID2761596, FMOC- -3-AMINO-4- -BUTYRICACID, Fmoc-(S)-3-amino-4-(4-nitrophenyl)butanoicacid, Fmoc-(S)-3-amino-4-(4-nitrophenyl)butanoic acid, Fmoc-(S)-3-amino-4-(4-nitrophenyl)-butyric acid, (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitrophenyl)butanoic Acid, Benzenebutanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-nitro-,(betaS)-,

Complexity	680
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	446.148g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	446.459g/mol
Monoisotopic Mass	446.148g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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

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