AG00C64P

41117-66-2 | Boc-cys(3,4-dimethylbenzyl)-oh

AG00C64P

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CAS Number	41117-66-2
Catalog Number	AG00C64P(AGN-PC-0RPWB4)
Chemical Name	Boc-cys(3,4-dimethylbenzyl)-oh
IUPAC Name	(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C17H25NO4S/c1-11-6-7-13(8-12(11)2)9-23-10-14(15(19)20)18-16(21)22-17(3,4)5/h6-8,14H,9-10H2,1-5H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChI Key	AYUOVKILVZAKFO-AWEZNQCLSA-N
MDL Number	MFCD00060743
Molecular Formula	C17H25NO4S
Molecular Weight	339.4497
SMILES	CC1=CC=C(CSC[C@H](NC(OC(C)(C)C)=O)C(O)=O)C=C1C
Synonyms	Boc-cys(3,4-dimethylbenzyl)-OH, 41117-66-2, Boc-S-3,4-dimethylbenzyl-L-cysteine, SCHEMBL10694338, CTK8F8310, DTXSID30426870, ZINC2528220, 6293AH, MFCD00060743, AKOS025404258, AS-49046, C17H25NO4S, CID7016594, CID 7016594,

Complexity	408
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	339.15g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	339.45g/mol
Monoisotopic Mass	339.15g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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