AG004NXJ

86978-24-7 | (Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid

AG004NXJ

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CAS Number	86978-24-7
Catalog Number	AG004NXJ(AGN-PC-0V9LCB)
Chemical Name	(Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid
EC Number	430-100-3
IUPAC Name	(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid
InChI	InChI=1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-
InChI Key	XIXNSLABECPEMI-VURMDHGXSA-N
MDL Number	MFCD08458237
Molecular Formula	C13H18N2O4S
Molecular Weight	298.3580
SMILES	C(=CCC)(C(=O)O)/c1nc(sc1)NC(=O)OC(C)(C)C
Synonyms	86978-24-7, (Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid, (Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid, btpa, eatb, (Z)-2-(2-t-butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid, J-502579, XIXNSLABECPEMI-VURMDHGXSA-N, AK-24709, labotest-bb lt00441039, SCHEMBL4755227, SCHEMBL4755230, BTPA:( Z )-2-(2-t-butoxycarbonylaminothiazol-4-yl)-2-pentenoic acid, (Z)-2-(2-tert-Butoxycarbonylamino-4-thiazolyl)-2-pentenoic acid, BCP22683, MFCD08458237, ZINC21300534, AKOS015896643, BCP9000634, DS-1869, RP17634, AJ-78328, AB0027128, AX8022921, DB-056961, TL8005645, 4CH-011697, ST24020896, W8926, M-8376, 978B247, I06-2294, (Z)-2-(2-t-butoxycarbonylaminothiazol-4- yl) -2-pentenoic acid, (Z)-2-(2-tert-Butoxycarbonylaminothiazol-4-yl)-2-pentenoicacid, (2Z)-2-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-4-yl)pent-2-enoic acid, BAPA, -2- -2-pentenoicacid, C13H18N2O4S, 1-(tert-Butoxycarbonyl)pyrrolidine, tert-Butyl 1-pyrrolidinecarboxylate, CID10334852, EC 430-100-3, (Z)-2-(2-t-butoxycarbonylamino-4-thiazolyl)pent-2-enoic acid, (Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoicacid, (Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic Acid, Ethyl (Z)-2-(2-aminothiazol-4-yl)-2-(1-t-butoxycarbonyl-1-methyl)ethoxyiminoacetate,

Complexity	404
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	298.099g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	298.357g/mol
Monoisotopic Mass	298.099g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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