AG00C79B

336182-06-0 | BOC-L-BETA-HOMOGLUTAMINE

AG00C79B

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CAS Number	336182-06-0
Catalog Number	AG00C79B(AGN-PC-0R953H)
Chemical Name	BOC-L-BETA-HOMOGLUTAMINE
IUPAC Name	(3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
InChI	InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-7(6-9(15)16)4-5-8(12)14/h7H,4-6H2,1-3H3,(H2,12,14)(H,13,17)(H,15,16)/t7-/m0/s1
InChI Key	DAUHTFNYHSOVRQ-ZETCQYMHSA-N
MDL Number	MFCD01862848
Molecular Formula	C11H20N2O5
Molecular Weight	260.2869
SMILES	O=C(O)C[C@@H](NC(OC(C)(C)C)=O)CCC(N)=O
Synonyms	336182-06-0, Boc-L-beta-Homoglutamine, (S)-6-Amino-3-((tert-butoxycarbonyl)amino)-6-oxohexanoic acid, Boc-L-beta-HomoGln-OH, Boc-(S)-3,6-Diamino-6-oxohexanoic acid, Boc--HoGln-OH Boc--Homoglutamine, Boc-beta-HoGln-OH, (3S)-6-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid, N|A-Boc-L-|A-homoglutamine, (S)-3-(Boc-amino)adipic acid 6-amide, AK114905, Boc-beta-Homogln-OH, Boc-|A-Homogln-OH, AC1MC5ST, Boc-I(2)-HoGln-OH, SCHEMBL14265314, CTK8F0644, DTXSID30375930, ZINC2386815, MFCD01862848, AKOS015948776, BL860-1, DS-3938, AC-22074, ACM336182060, AJ-35383, AX8118226, Boc-beta-Homogln-OH, >=98.0% (TLC), DB-038327, RT-011760, FT-0771939, ST24036243, K-7738, (3S)-6-amino-3-(tert-butoxycarbonylamino)-6-oxo-hexanoic acid, (3S)-6-amino-3-(tert-butoxycarbonylamino)-6-keto-hexanoic acid, (S)-6-Amino-3-((tert-butoxycarbonyl)-amino)-6-oxohexanoic acid, (3S)-6-amino-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexanoic acid, (3S)-6-azanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexanoic acid, Boc-|A-HoGln-OH, ACN-026186, CB-1678, CID2761810, (3S)-6-Amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-6-oxo-hexanoic acid, (S)-6-Amino-3-((tert-butoxycarbonyl)amino)-6-oxohexanoicacid, 5-carbamoyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic Acid,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	260.137g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	260.29g/mol
Monoisotopic Mass	260.137g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number