AG003PZZ

84793-24-8 | Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate

AG003PZZ

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CAS Number	84793-24-8
Catalog Number	AG003PZZ(AGN-PC-0UTX0X)
Chemical Name	Ethyl (S)-2-[(S)-4-Methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoate
IUPAC Name	ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
InChI	InChI=1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1
InChI Key	GFZFELCFSBCPDB-AAEUAGOBSA-N
MDL Number	MFCD00272296
Molecular Formula	C16H19NO5
Molecular Weight	305.3258
SMILES	[C@@H](C(=O)OCC)(CCc1ccccc1)N1[C@@H](C)C(=O)OC1=O
Synonyms	84793-24-8, (S)-Ethyl 2-((S)-4-methyl-2,5-dioxooxazolidin-3-yl)-4-phenylbutanoate, MFCD00272296, N-[1-(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]-L-ALANINE-N-CARBOXYANHYDRIDE, N-[1-(S)-(Ethoxycarbony1)-3-phenylpropyl]-L-alanine-N-carboxyanhydride, ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate, ethyl (s)-2-((s)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenylbutyrate, N-[1-(S)-(+)-Ethoxycarbonyl-3-phenylpropyl]-L-alanyl carboxyanhydride, N-[1-(S)-ETHOXYCARBONYL-3-PHENYLPROPYL]-N-CARBOXY-L-ALANINE ANHYDRIDE (NEPA-NCA), N-(1-(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanine-N-carboxyanhydride, N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-, alanine -n-carboxyanhydride, SCHEMBL1998125, CTK5F3149, DTXSID10432893, ANW-49026, CE-037, AKOS015920229, ZINC100009575, AB05575, RL05213, AC-17998, AN-35789, BC213132, BR-76567, K515, SC-76293, AX8008786, ST2402855, TC-137771, FT-0629611, S-1736, 793E248, A840927, C-19020, J-520479, Ethyl (S)-2-[(S)-4-methyl-2,5-dioxo-1,3-oxazolidin, N-(1-(S)-Ethoxycarbonyl-3-phenylpropyl)-1-alanyl-carboxyanhydride, N-1(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanine-N-carboxyanhydride, N-(1-(S)-ethoxycarbonyl 3-phenylpropyl)-L-alanine-N-carboxyanhydride, N-[1-(S)-(Ethoxycarbony1)-3-phenylpropyl]-L-alanine-Ncarboxyanhydride, N-[1-(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanyl -N-carboxy anhydride, (2S)-2-[(4S)-4-methyl-2,5-dioxo-3-oxazolidinyl]-4-phenylbutanoic acid ethyl ester, 3-Oxazolidineaceticacid, 4-methyl-2,5-dioxo-a-(2-phenylethyl)-, ethyl ester, (aS,4S)-, ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-oxazolidin-3-yl]-4-phenyl-butanoate, N-[1-(S)-(+)-Ethoxycarbonyl-3-phenylpropyl]-L-alanyl carboxyanhydride, 97%, 3-Oxazolidineacetic acid, 4-methyl-2,5-dioxo-alpha-(2-phenylethyl)-, ethyl ester, (alphaS,4S)-, ethyl (2S)-2-[(4S)-4-methyl-2,5-bis(oxidanylidene)-1,3-oxazolidin-3-yl]-4-phenyl-butanoate, SCA-NCA, KANEKA-AL-2, C16H19NO5, CID9922512, EC 430-360-8, ETHYL (S)-2-[(S)-4-METHYL-2,5-DIOXO-1,3-OXAZOLIDIN-3-YL]-4-PHENYLBUTYRATE, N-((1S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-N-carboxyanhydride, N-(1-(S)-ethoxycarbonyl-3-phenylpropyl) L-alanyl-N-carboxyanhydride, N-(1-(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl-N-carboxyanhydride, N-[(1S)-ethoxycarbonyl-3-phenylpropyl]-L-alanyl-N-carboxyanhydride, N-[1-(S)-ethoxycarbonyl-3-phenylpropyl] L-alanyl-N-carboxyanhydride, N-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanyl-N-carboxyanhydride, (S)-Ethyl2-((S)-4-methyl-2,5-dioxooxazolidin-3-yl)-4-phenylbutanoate, Ethyl 2-(4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl)-4-phenyl-butanoate, N-[1-(s)-ethoxycarbonyl-3-phenylpropyl]-l-alanine -n-carboxyanhydride,

Complexity	430
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	305.126g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	305.33g/mol
Monoisotopic Mass	305.126g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	72.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H318
Packing Group
Precautionary statements	P262-P280b-P280-P305+P351+P338
UN Code

Certificate of Analysis

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