AG00G64B

75498-93-0 | BOC-D-HIS(BOC)-OH

AG00G64B

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CAS Number	75498-93-0
Catalog Number	AG00G64B(AGN-PC-0OHNMZ)
Chemical Name	BOC-D-HIS(BOC)-OH
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid
InChI	InChI=1S/C16H25N3O6/c1-15(2,3)24-13(22)18-11(12(20)21)7-10-8-19(9-17-10)14(23)25-16(4,5)6/h8-9,11H,7H2,1-6H3,(H,18,22)(H,20,21)/t11-/m1/s1
InChI Key	IXHPIPUIOSSAIS-LLVKDONJSA-N
MDL Number	MFCD00270720
Molecular Formula	C16H25N3O6
Molecular Weight	355.3862
SMILES	C(C)(C)(C)OC(=O)N1C=NC(=C1)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Synonyms	75498-93-0, BOC-D-HIS(BOC)-OH, Boc-D-His(Boc)-OH benzene solvate, (R)-3-(1-(tert-Butoxycarbonyl)-1H-imidazol-4-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid, 388086-36-0, SCHEMBL13650201, ZINC2560683, MFCD00270720, AKOS027338209, ACN-026538, AS-49189, Z5860, D-Histidine, N,1-bis[(1,1-dimethylethoxy)carbonyl]-, (R)-3-(1-(tert-butoxycarbonyl)-1H-imidazol-4-yl)-2-(tert-butoxycarbonylamino)propanoic acid, Boc-His(Boc)-OH, N,1-Bis-Boc-D-histidine, C16H25N3O6, CID7019673, CID 7019673, 20866-46-0,

Complexity	509
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	355.174g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	355.391g/mol
Monoisotopic Mass	355.174g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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