AG003BOS

62965-10-0 | (S)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid

AG003BOS

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CAS Number	62965-10-0
Catalog Number	AG003BOS(AGN-PC-0ODYBQ)
Chemical Name	(S)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid
IUPAC Name	(2S)-3,3-dimethyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI	InChI=1S/C14H19NO4/c1-14(2,3)11(12(16)17)15-13(18)19-9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChI Key	NSVNKQLSGGKNKB-LLVKDONJSA-N
MDL Number	MFCD00137411
Molecular Formula	C14H19NO4
Molecular Weight	265.3050
SMILES	CC(C)(C)[C@H](NC(OCC1=CC=CC=C1)=O)C(O)=O
Synonyms	Cbz-L-tert-Leucine, 62965-10-0, (S)-2-(((Benzyloxy)carbonyl)amino)-3,3-dimethylbutanoic acid, (2S)-2-{[(benzyloxy)carbonyl]amino}-3,3-dimethylbutanoic acid, 59269-54-4, Z-tert-Leu-OH, N-Benzyloxycarbonyl-L-tert-leucine, (2S)-2-([(BENZYLOXY)CARBONYL]AMINO)-3,3-DIMETHYLBUTANOIC ACID, MFCD00137411, (S)-2-(benzyloxycarbonylamino)-3,3-dimethylbutanoic acid, Cbzl-L-tert-leucine, Cbz-Tle-OH, Z-Tle, Z-L-T-Butylglycine, Cbz-(L)-tert-leucine, PubChem18969, SCHEMBL738204, N-Benzyloxycarbonyl tert-leucine, N-Benzyloxycarbonyl-tert-leucine, CTK5B6824, KS-00000JKI, NSVNKQLSGGKNKB-LLVKDONJSA-N, ZINC392028, ANW-50231, SBB065185, N-[(benzyloxy)carbonyl]-tert-leucine, AKOS005073798, AKOS015839333, N-benzyloxycarbonyl-3-methyl-L-valine, CS-W020724, RP14916, SS-3079, benzyloxycarbonylaminodimethylbutanoicacid, KS-00002B06, AJ-21216, BC681242, BR-48410, SC-40589, AB0025931, TR-021672, AM20050385, FT-0081401, FT-0651129, ST24020794, W7496, (S)-N-Cbz-2-amino-3,3-dimethyl-butyric acid, S-2352, L-Valine,3-methyl-N-[(phenylmethoxy)carbonyl]-, 965C100, L-Valine, 3-methyl-N-[(phenylmethoxy)carbonyl]-, 3-methyl-N-{[(phenylmethyl)oxy]carbonyl}-L-valine, I01-7239, J-502384, (S)-2-(CBZ-AMINO)-3,3-DIMETHYLBUTANOIC ACID, (2S)-3,3-dimethyl-2-[(phenylmethoxy)carbonylamino]butanoic acid, C14H19NO4, ACN-001501, CID9899995, (C2-H4-O)mult-C18-H30-O4-S.Na, 3,3-dimethyl-2-phenylmethoxycarbonylamino-butanoic Acid, Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(dodecylphenoxy)-, sodium salt, Poly(oxy-1,2-ethanediyl), ?-sulfo-?-(dodecylphenoxy)-, sodium salt, Poly(oxy-1,2-ethanediyl), alpha-sulfo-omega-(dodecylphenoxy)-, sodium salt, Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-(dodecylphenoxy)-, sodium salt (1:1), Poly(oxy-1,2-ethanediyl), alpha-sulfo-omega-(dodecylphenoxy)-, sodium salt (1:1),

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	265.131g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	265.309g/mol
Monoisotopic Mass	265.131g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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