AG001Q2R

158257-41-1 | 3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-

AG001Q2R

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CAS Number	158257-41-1
Catalog Number	AG001Q2R(AGN-PC-0Q7G0R)
Chemical Name	3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-
EC Number	605-141-7
IUPAC Name	benzyl (4S)-2,5-dioxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
InChI	InChI=1S/C14H15NO5/c1-9(2)11-12(16)20-14(18)15(11)13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t11-/m0/s1
InChI Key	PBXWOGVKYLPBQY-NSHDSACASA-N
MDL Number	MFCD00274015
Molecular Formula	C14H15NO5
Molecular Weight	277.2726
SMILES	O=C(N([C@H]1C(C)C)C(OC1=O)=O)OCC2=CC=CC=C2
Synonyms	158257-41-1, (S)-Benzyl 4-isopropyl-2,5-dioxooxazolidine-3-carboxylate, (S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolidinedione, Z-VAL-NCA, benzyl (4S)-2,5-dioxo-4-(propan-2-yl)-1,3-oxazolidine-3-carboxylate, AK122585, AMTGC159, (S)-3-(Benzyloxycarbonyl)-4-isopropyl-2,5-oxazolid, SCHEMBL5166676, CTK4C9638, DTXSID30453989, N-Cbz-L-valine N-Carboxyanhydride, ACT09239, CS-M3184, 7939AA, Benzyl (4S)-2,5-dioxo-4-propan-2-yl-1,3-oxazolidine-3-carboxylate, MFCD00274015, ZINC72399423, AKOS015911917, AS-3214, FCH3612911, SC-51128, AX8246763, RT-011398, FT-0662924, ST24036270, 257Z411, J-009486, I14-37891, (S)-4-(1-Methylethyl)-2,5-dioxo-3-oxazolidinecarboxylic Acid Phenylmethyl Ester, 3-Oxazolidinecarboxylic acid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-, 3-Oxazolidinecarboxylicacid, 4-(1-methylethyl)-2,5-dioxo-, phenylmethyl ester, (4S)-, Z-L-Valine NCA, C14H15NO5, CID11065729,

Complexity	400
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	277.095g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	277.276g/mol
Monoisotopic Mass	277.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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