AG001TZC

163277-78-9 | L-Asparagine, N2-acetyl-N-(triphenylmethyl)-

AG001TZC

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CAS Number	163277-78-9
Catalog Number	AG001TZC(AGN-PC-0Q8DMJ)
Chemical Name	L-Asparagine, N2-acetyl-N-(triphenylmethyl)-
IUPAC Name	(2S)-2-acetamido-4-oxo-4-(tritylamino)butanoic acid
InChI	InChI=1S/C25H24N2O4/c1-18(28)26-22(24(30)31)17-23(29)27-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3,(H,26,28)(H,27,29)(H,30,31)/t22-/m0/s1
InChI Key	IDBQTOJMHIZVEK-QFIPXVFZSA-N
MDL Number	MFCD00236745
Molecular Formula	C25H24N2O4
Molecular Weight	416.4691
SMILES	O=C(O)[C@@H](N(C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)=O)CC(N)=O
Synonyms	163277-78-9, Nalpha-Acetyl-Ngamma-trityl-L-asparagine, CTK8E6095, DTXSID10428599, ZINC4899633, 6077AH, AKOS015909213, N-alpha-Acetyl-N-beta-trityl-asparagine, AS-48984, N-alpha-Acetyl-N-beta-trityl-L-asparagine, RT-014643, K-5101, (S)-2-acetamido-4-oxo-4-(tritylamino)butanoic acid, AC-ASN(TRT)-OH, AC1OLR7Q, C25H24N2O4, CID7408361, (2S)-2-acetamido-3-(tritylcarbamoyl)propanoic Acid, (2S)-2-acetamido-4-oxo-4-(tritylamino)butanoic acid, I14-33142,

Complexity	572
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	416.173607g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	416.5g/mol
Monoisotopic Mass	416.173607g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	95.5Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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