AG002BX9

199119-46-5 | D-Histidine, 1-(triphenylmethyl)-

AG002BX9

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CAS Number	199119-46-5
Catalog Number	AG002BX9(AGN-PC-0O6W16)
Chemical Name	D-Histidine, 1-(triphenylmethyl)-
IUPAC Name	(2R)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid
InChI	InChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m1/s1
InChI Key	BSZQZNOAYQCQFZ-HSZRJFAPSA-N
MDL Number	MFCD00237099
Molecular Formula	C25H23N3O2
Molecular Weight	397.4690
SMILES	N[C@H](CC1=CN(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=N1)C(O)=O
Synonyms	199119-46-5, H-D-His(Trt)-OH, N-im-Trityl-D-histidine, Nim-Trityl-D-histidine, (R)-2-Amino-3-(1-trityl-1H-imidazol-4-yl)propanoic acid, H-D-His(-Trt)-OH, H-D-His(1-Trt)-OH, D-Histidine, 1-(triphenylmethyl)-, J-300147, Q-101824, C25H23N3O2, AC1OLRBK, CTK0H3812, KS-00000JBC, DTXSID40428608, ZINC4899667, ANW-43619, MFCD00237099, AM81826, AJ-52579, AS-49153, SC-09588, AX8032507, RT-014713, FT-0688466, ST24035295, V4136, B-7700, I14-37398, (2R)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid, H-His(Trt)-OH, CID7408412, 2-amino-3-(1-tritylimidazol-4-yl)propanoic Acid, 35146-32-8,

Complexity	505
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	397.179g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	397.478g/mol
Monoisotopic Mass	397.179g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

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