AG003OIA

5068-28-0 | Boc-S-benzyl-L-cysteine

AG003OIA

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CAS Number	5068-28-0
Catalog Number	AG003OIA(AGN-PC-0WACO1)
Chemical Name	Boc-S-benzyl-L-cysteine
EC Number	225-772-8
IUPAC Name	(2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key	IFVORPLRHYROAA-LBPRGKRZSA-N
MDL Number	MFCD00065567
Molecular Formula	C15H21NO4S
Molecular Weight	311.3965
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CSCC1=CC=CC=C1
Synonyms	N-t-Boc-S-benzyl-L-cysteine, N-tert-butyloxycarbonyl-S-benzylcysteine, Boc-Cys(Bzl)-OH, 5068-28-0, Boc-S-benzyl-L-cysteine, (R)-3-(Benzylthio)-2-((tert-butoxycarbonyl)amino)propanoic acid, N-Boc-S-benzyl-L-cysteine, N-(tert-Butoxycarbonyl)-S-benzyl-L-cysteine, IFVORPLRHYROAA-LBPRGKRZSA-N, MFCD00065567, J-300084, S-Benzyl-N-(tert-butoxycarbonyl)-L-cysteine, BOC-(S)-BENZYL-L-CYS, Alanine, 3-(benzylthio)-N-carboxy-, N-tert-butyl ester, L-, N-((1,1-Dimethylethoxy)carbonyl)-S(phenylmethyl)-L-cysteine, L-Cysteine, N-[(1,1-dimethylethoxy)carbonyl]-S-(phenylmethyl)-, AK-90808, Boc-Cys (Bzl)-OH, PubChem12155, AC1MC5LK, Boc-S-Benzyl-L-Cys-OH, KSC269K7L, N-t-Boc-S-benzyl-L-cysteine, SCHEMBL3362562, CTK1G9575, KS-00000NIK, ZINC1640072, ANW-31097, FC1229, AKOS015836479, N-.alpha.-t-Boc-S-benzyl-L-cysteine, AM81665, CS-W013957, RTR-018117, AJ-28559, Benzyl-N-(tert-butoxycarbonyl)cysteine #, Boc-Cys(Bzl)-OH, >=99.0% (T), BP-13270, SC-09445, AB0010505, AX8008510, Nalpha-t-butoxycarbonyl-S-benzyl-L-cysteine, ST2414465, TR-018117, FT-0081980, FT-0601990, ST50307207, M-8443, N-alpha-t-Butyloxycarbonyl-S-benzyl-L-cysteine, 068B280, C-19233, (2R)-3-benzylsulfanyl-2-tert-butoxycarbonylamino-propionic acid, (R)-3-(benzylthio)-2-(tert-butoxycarbonylamino)propanoic acid, S-Benzyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine, (2R)-2-[(tert-butoxy)carbonylamino]-3-(phenylmethylthio)propanoic acid, (2R)-3-(benzylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoic acid, (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, Boc-(S)-benzyl-D-Cys, C15H21NO4S, C15-H21-N-O4-S, EINECS 225-772-8, NSC164041, ACN-033117, CID2724757, NSC 164041, N-tert-Butyloxycarbonyl-S-benzylcysteine, B1666, S-benzyl-N-[tert-butoxycarbonyl]-L-cysteine, Boc-S-benzyl-L-cysteine, 99% - 25G 25g, L-Cysteine, N-((1,1-dimethylethoxy)carbonyl)-S-(phenylmethyl)-, N-tert-Butoxycarbonyl-S-benzyl-L-cysteine; Boc-S-Benzyl-L-cysteine, 102830-49-9,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	311.119g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	311.396g/mol
Monoisotopic Mass	311.119g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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