AG0039M0

4668-42-2 | L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester

AG0039M0

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CAS Number	4668-42-2
Catalog Number	AG0039M0(AGN-PC-0OAJTX)
Chemical Name	L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester
IUPAC Name	(3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C13H15NO6/c1-19-12(17)10(7-11(15)16)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,16)/t10-/m0/s1
InChI Key	MFFFBNAPQRDRQW-JTQLQIEISA-N
MDL Number	MFCD00083277
Molecular Formula	C13H15NO6
Molecular Weight	281.2613
SMILES	O=C(O)C[C@@H](C(OC)=O)NC(OCC1=CC=CC=C1)=O
Synonyms	Z-Asp-OMe, 4668-42-2, Cbz-Asp-OMe, Z-L-Asp-OMe, MFCD00083277, (S)-3-(((Benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid, (3S)-4-methoxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid, J-300063, Q-101789, (3S)-3-{[(BENZYLOXY)CARBONYL]AMINO}-4-METHOXY-4-OXOBUTANOIC ACID, Z-L-Aspartic acid 1-methyl ester, (3S)-3-(((benzyloxy)carbonyl)amino)-4-methoxy-4-oxobutanoic acid, 1-Methyl N-Carbobenzoxy-L-aspartate, N-Cbz-L-Aspartic acid 1-methyl ester, AK-41913, N-Cbz-L-Asp-OMe, PubChem18988, AC1ODW3Y, AC1Q41IB, 1-Methyl N-Cbz-L-aspartate, SCHEMBL1067460, KS-00000JEJ, DTXSID80427397, MFFFBNAPQRDRQW-JTQLQIEISA-N, Z-L-aspartic acid |A-methyl ester, ZINC2575025, CZ-083, AKOS015889948, AAA0001747, AM81615, FCH4083790, N-CBZ L-aspartic acid 1-methyl ester, Z-Asp-OMe, >=98.0% (TLC), AJ-42312, DS-13996, N-Cbz-L-aspartic acid alpha-methyl ester, AX8020924, A6994, FT-0652802, M2707, ST24036057, ST51014952, V1187, N-Benzyloxycarbonyl aspartic acid methyl ester, K-9094, N-Carbobenzoxy-L-aspartic Acid 1-Methyl Ester, 668Z422, C-55177, N-Benzyloxycarbonyl-L-aspartic acid 1-methyl ester, I01-4495, N-(Benzyloxycarbonyl)-L-aspartic acid 1-methyl ester, (S)-2-benzyloxycarbonylamino-succinic acid 1-methyl ester, (S)-3-(Benzyloxycarbonylamino)-4-methoxy-4-oxobutanoic acid, (3S)-3-(methoxycarbonyl)-3-[(phenylmethoxy)carbonylamino]propanoic acid, z-d-asp-ome, C13H15NO6, ACN-026434, CID7021783, N-Cbz-L-aspartic acid |A-methyl ester, a-Methyl N-(benzyloxycarbonyl)-L-aspartate, A6986, 4-methoxy-4-oxo-3-phenylmethoxycarbonylamino-butanoic Acid, L-Aspartic acid, N-[(phenylmethoxy)carbonyl]-, 1-methyl ester, 47087-37-6,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	281.09g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.264g/mol
Monoisotopic Mass	281.09g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number