AG002CMC

200259-87-6 | D-Asparagine, N2-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)-

AG002CMC

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CAS Number	200259-87-6
Catalog Number	AG002CMC(AGN-PC-0QR85Q)
Chemical Name	D-Asparagine, N2-[(phenylmethoxy)carbonyl]-N-(triphenylmethyl)-
IUPAC Name	(2R)-4-oxo-2-(phenylmethoxycarbonylamino)-4-(tritylamino)butanoic acid
InChI	InChI=1S/C31H28N2O5/c34-28(21-27(29(35)36)32-30(37)38-22-23-13-5-1-6-14-23)33-31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2,(H,32,37)(H,33,34)(H,35,36)/t27-/m1/s1
InChI Key	FPVBKISSJULIGI-HHHXNRCGSA-N
MDL Number	MFCD00237334
Molecular Formula	C31H28N2O5
Molecular Weight	508.5644
SMILES	O=C(O)[C@H](NC(OCC1=CC=CC=C1)=O)CC(NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=O
Synonyms	Z-D-Asn(Trt)-OH, 200259-87-6, C31H28N2O5, AK-89015, N-Cbz-N-trityl-D-asparagine, 7877AH, MFCD00237334, ZINC15721689, AKOS024259141, KS-00000S87, AJ-67836, DS-18547, N-Cbz-N'-trityl-D-asparagine, (S)-2-(((Benzyloxy)carbonyl)amino)-4-oxo-4-(tritylamino)butanoic acid, 132388-57-9,

Complexity	717
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	508.2g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	508.574g/mol
Monoisotopic Mass	508.2g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	105A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

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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