AG00BF7K

216439-76-8 | Boc-4-pinicalborane-L-phenylalanine

AG00BF7K

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CAS Number	216439-76-8
Catalog Number	AG00BF7K(AGN-PC-0WAJTH)
Chemical Name	Boc-4-pinicalborane-L-phenylalanine
IUPAC Name	(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid
InChI	InChI=1S/C20H30BNO6/c1-18(2,3)26-17(25)22-15(16(23)24)12-13-8-10-14(11-9-13)21-27-19(4,5)20(6,7)28-21/h8-11,15H,12H2,1-7H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChI Key	QEDPTINTWPOCHA-HNNXBMFYSA-N
MDL Number	MFCD03412130
Molecular Formula	C20H30BNO6
Molecular Weight	391.2663
SMILES	O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1
Synonyms	216439-76-8, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid, (S)-2-(Tert-butoxycarbonylamino)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoic acid, N-BOC-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-L-PHENYLALANINE, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC ACID, Boc-4-pinicalborane-L-phenylalanine, SCHEMBL1818988, QEDPTINTWPOCHA-HNNXBMFYSA-N, CS-M3317, KS-00000Q4M, MFCD03412130, AKOS027326492, ZINC195843565, AS06549, SB17956, DS-11966, L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, N-(tert-Butoxycarbonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-L-phenylalanine, (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoic acid, (S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]PROPANOIC, ACN-043335, CID 4683189, CID10644158, N-tert-Butyloxycarbonyl-4-pinacolatoborono-L-phenylalanine, 97% - 1G 1g,

Complexity	562
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	391.217g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	391.271g/mol
Monoisotopic Mass	391.217g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	94.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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