AG007M6U

270065-71-9 | Boc-(s)-3-amino-4-(4-iodo-phenyl)-butyric acid

AG007M6U

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CAS Number	270065-71-9
Catalog Number	AG007M6U(AGN-PC-0R2WMA)
Chemical Name	Boc-(s)-3-amino-4-(4-iodo-phenyl)-butyric acid
IUPAC Name	(3S)-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI	InChI=1S/C15H20INO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1
InChI Key	QEKSTALXWONXOD-LBPRGKRZSA-N
MDL Number	MFCD01861061
Molecular Formula	C15H20INO4
Molecular Weight	405.2281
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(I)C=C1
Synonyms	270065-71-9, Boc-(S)-3-amino-4-(4-iodo-phenyl)-butyric acid, (S)-3-((tert-butoxycarbonyl)amino)-4-(4-iodophenyl)butanoic acid, Boc-(S)-3-Amino-4-(4-iodophenyl)butyric acid, (3S)-4-(4-iodophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid, Boc-4-iodo-L-beta-homophenylalanine, Boc-?-Homophe(4-I)-OH, AC1MC5G7, ZINC2575647, CB-823, MFCD01861061, AKOS015948867, RTR-012180, AC-22218, ACM270065719, AK175079, CC-24902, PS-12277, TR-012180, FT-0644285, K-6921, C-21806, (3S)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butanoic acid, (3S)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butyric acid, (3S)-3-[(tert-butoxycarbonyl)amino]-4-(4-iodophenyl)butanoic acid, (S)-3-(tert-butoxycarbonylamino)-4-(4-iodophenyl)butanoic acid, (3S)-4-(4-iodophenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid, CID2761655, BOC- -3-AMINO-4- -BUTYRICACID, Boc-(S)-3-Amino-4-(4-iodophenyl)butanoic acid, Boc-(S)-3-amino-4-(4-iodophenyl)-butyric acid, Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-4-iodo-, (betaS)-,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	405.044g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	405.232g/mol
Monoisotopic Mass	405.044g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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