AG000IRQ

119434-75-2 | 4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-

AG000IRQ

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CAS Number	119434-75-2
Catalog Number	AG000IRQ(AGN-PC-0PDB27)
Chemical Name	4-Thiazolepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid
InChI	InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-8(9(14)15)4-7-5-18-6-12-7/h5-6,8H,4H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChI Key	RVXBTZJECMMZSB-QMMMGPOBSA-N
MDL Number	MFCD00079682
Molecular Formula	C11H16N2O4S
Molecular Weight	272.3207
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CSC=N1
Synonyms	119434-75-2, Boc-L-4-Thiazolylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoic acid, Boc-beta-(4-thiazolyl)-Ala-OH, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid, N-(tert-butoxycarbonyl)-3-(4-thiazolyl)-L-alanine, Boc-3-(4-thiazolyl)-D-alanine, (S)-2-(tert-butoxycarbonylamino)-3-(thiazol-4-yl)propanoic acid, Boc-3-(4-Thiazolyl)-L-alanine, (2S)-2-[(tert-butoxy)carbonylamino]-3-(1,3-thiazol-4-yl)propanoic acid, AK114766, Boc-4-Thi-OH, AC1Q1MSC, AC1MC18U, SCHEMBL478732, Boc-|A-(4-thiazolyl)-Ala-OH, CTK8F0155, KS-00000GEJ, KS-00003SWA, RVXBTZJECMMZSB-QMMMGPOBSA-N, Boc - L - 4 - Thiazolylalanine, ZINC2568085, ZX-AT014675, MFCD00079682, SBB066462, AKOS015897565, ACN-051983, BL116-1, CB-1518, CS-W004036, OR14634, AJ-41557, SC-87205, TS-00916, AX8013401, RT-011801, FT-0629985, ST24035847, ST50307429, K-1370, N-(t-butoxycarbonyl)-3-(4-thiazolyl)-L-alanine, 434B752, C-56651, I09-0646, I09-0650, J-004128, J-006485, (S)-2-(tert-butoxycarbonylamino)-3-(thiazol-4-yl)p, (S)-N-alpha-t-Butyloxycarbonyl-thiazol-4-yl-alanine, Boc-beta-(4-thiazolyl)-Ala-OH, >=98.0% (HPLC), N-(tert-butoxycarbonyl)-3-(1,3-thiazol-4-yl)alanine, N-(tert-butoxycarbonyl)-3-(thiazol-4-yl)-L-alanine, N-(tert-butyloxycarbonyl)-3-(4-thiazolyl)-L-alanine, Nalpha -t-butoxycarbonyl-beta-(4-thiazolyl)-L-alanine, (S)-N-Alpha-T-Butoxycarbonyl-3-(4-Thiazolyl)-Alanine, N-(tert-butoxycarbonyl)-3-(1,3-thiazol-4-yl)-L-alanine, (s)-2-tert-butoxycarbonylamino-3-thiazol-4-yl-propionic acid, (2S)-2-(tert-butoxycarbonylamino)-3-thiazol-4-yl-propanoic acid, (2S)-2-(tert-butoxycarbonylamino)-3-thiazol-4-yl-propionic acid, (S)-2-[(tert-butoxycarbonyl)amino]-3-(thiazol-4-yl)propionic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3-(1,3-thiazol-4-yl)propanoic acid, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1,3-thiazol-4-yl)propanoic acid, 4-thiazolepropanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-thiazolyl)propanoic acid, 4-Thiazolepropanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-, Boc-L-3-(4-Thiazolyl)-alanine, CID2734486, 134107-69-0, (S)-2-((tert-Butoxycarbonyl)amino)-3-(thiazol-4-yl)propanoicacid, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(1,3-thiazol-4-yl)propanoic acid, (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,3-thiazol-4-yl)propanoic Acid, 205528-32-1,

Complexity	317
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	272.083g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.319g/mol
Monoisotopic Mass	272.083g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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