AG00IAY0

61925-77-7 | L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methylphenyl)methyl]-

AG00IAY0

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CAS Number	61925-77-7
Catalog Number	AG00IAY0(AGN-PC-0T2AAO)
Chemical Name	L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methylphenyl)methyl]-
IUPAC Name	(2R)-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key	CUNVVZWSABRKAL-ZDUSSCGKSA-N
MDL Number	MFCD00038517
Molecular Formula	C16H23NO4S
Molecular Weight	325.4231
SMILES	O=C(O)[C@H](CSCC1=CC=C(C)C=C1)NC(OC(C)(C)C)=O
Synonyms	61925-77-7, Boc-Cys(Mbzl)-OH, Boc-S-(4-methylbenzyl)-L-cysteine, Boc-L-Cys(pMeBzl)-OH, Boc-Cys(pMeBzl)-OH, Boc-S-p-methylbenzyl-L-cysteine, Boc--HoAsn-OH Boc--homoasparagine, Boc-Cys(4-Mbzl)-OH, PubChem12138, SCHEMBL4422552, CTK3J7299, CUNVVZWSABRKAL-ZDUSSCGKSA-N, ZINC2391031, CB-091, KM0555, MFCD00038517, AKOS015897339, AKOS015924254, AM81660, RTR-021300, KS-000010X5, AK163605, AS-11793, AB0010760, AX8016487, TR-021300, Boc-Cys(Mbzl)-OH, >=96.0% (HPLC), FT-0640795, ST24046227, M03274, 925B777, C-19839, N-t-butyloxycarbonyl-S-(4-methylbenzyl)-L-cysteine, N-tert-Butoxycarbonyl-S-(4-methylbenzyl)-L-cysteine, N-t-butyloxycarbonyl-S -(4-methylbenzyl)-L-cysteine, Nalpha-tert-butoxycarbonyl-S-(4-methylbenzyl)-L-cysteine, S-(4-Methylbenzyl)-N-(tert-butoxycarbonyl)-L-cysteine, N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteine, (2R)-2-(tert-Butoxycarbonylamino)-3-(4-methylbenzylthio)propionic acid, (R)-2-(tert-butoxycarbonylamino)-3-(4-methylbenzylthio)propanoic acid, L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methylphenyl)methyl]-, Boc-S- -L-cysteine, Boc-Cys(4-MeBzl)-OH, C16H23NO4S, NSC334313, Boc-Cys(pMeBzl)-OH - 25G 25g, ACN-033115, CID7010551, A7744, 336182-03-7, N-(tert-Butoxycarbonyl)-S-(4-methylbenzyl)-L-cysteine; S-(4-Methylbenzyl)-N-(tert-butoxycarbonyl)-L-cysteine,

Complexity	373
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	325.135g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	325.423g/mol
Monoisotopic Mass	325.135g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	101A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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