AG00IBHR

65420-40-8 | L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-

AG00IBHR

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CAS Number	65420-40-8
Catalog Number	AG00IBHR(AGN-PC-0OF8YS)
Chemical Name	L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid
InChI	InChI=1S/C22H24N2O6/c1-22(2,3)30-21(28)23-15(20(26)27)12-18(25)24-19-13-8-4-6-10-16(13)29-17-11-7-5-9-14(17)19/h4-11,15,19H,12H2,1-3H3,(H,23,28)(H,24,25)(H,26,27)/t15-/m0/s1
InChI Key	YMGDQLXBNMRJMR-HNNXBMFYSA-N
MDL Number	MFCD00066157
Molecular Formula	C22H24N2O6
Molecular Weight	412.4358
SMILES	O=C(NC1C2=C(OC3=C1C=CC=C3)C=CC=C2)C[C@@H](C(O)=O)NC(OC(C)(C)C)=O
Synonyms	Boc-Asn(Xan)-OH, 65420-40-8, N-Alpha-t-Boc-N-beta-xanthyl-L-asparagine, MFCD00066157, (S)-4-((9H-Xanthen-9-yl)amino)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid, N-Boc-N -xanthyl-L-asparagine, N-alpha-BOC-N-beta-Xanthenyl-L-asparagine, 96%, PubChem18926, ACT05117, ZINC2539578, CB-918, AKOS016008669, RL04488, Nalpha-Boc-Nbeta-xanthenyl-L-asparagine, AJ-38898, AK-50011, AN-38639, AS-48978, N941, SC-24300, AB0007163, AX8022040, A7726, FT-0629961, ST24020833, Nalpha-Boc-Nbeta-xanthenyl-L-asparagine, 96%, N-ALFA-BOC-N-GAMMA-XANTHYL-L-ASPARAGINE, Y-8960, 420B408, N(alpha)-boc-N(gamma)-(9-xanthenyl)-L-asparagine, N-alpha-t-Butyloxycarbonyl-L-N-beta-xantyl-asparagine, Boc-Asn(Xan)-OH, >=98.0% (sum of enantiomers, TLC), L-Asparagine, N2-[(1,1-dimethylethoxy)carbonyl]-N-9H-xanthen-9-yl-, (2S)-2-(tert-butoxycarbonylamino)-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid, (2S)-2-[(tert-butoxycarbonyl)amino]-3-[(9H-xanthen-9-yl)carbamoyl]propanoic acid, N-Boc-N'-xanthyl-L-asparagine, C22H24N2O6, CID7017974, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(9H-xanthen-9-ylcarbamoyl)propanoic Acid, N-Boc-N'-xanthyl-L-asparagine; N-a-t-Butyloxycarbonyl-N-b-xantyl-L-asparagine,

Complexity	624
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	412.163g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	412.442g/mol
Monoisotopic Mass	412.163g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	114A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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

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