AG003AFZ

847499-27-8 | [(1R)-1-[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)formamido]butanamido]-3-methylbutyl]boronic acid

AG003AFZ

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CAS Number	847499-27-8
Catalog Number	AG003AFZ(AGN-PC-0UTEAM)
Chemical Name	[(1R)-1-[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)formamido]butanamido]-3-methylbutyl]boronic acid
IUPAC Name	[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid
InChI	InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
InChI Key	SJFBTAPEPRWNKH-CCKFTAQKSA-N
MDL Number	MFCD18251439
Molecular Formula	C21H28BN3O5
Molecular Weight	413.2751
SMILES	O[C@@H]([C@@H](C(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)C1=NC(=CC=C1)C1=CC=CC=C1)C
UNII	6IF28942WO
Synonyms	CEP-18770, delanzomib, Delanzomib, CEP-18770, 847499-27-8, UNII-6IF28942WO, CEP 18770, CT-47098, Delanzomib (CEP-18770), ((R)-1-((2S,3R)-3-Hydroxy-2-(6-phenylpicolinamido)butanamido)-3-methylbutyl)boronic acid, CHEMBL270515, 6IF28942WO, Boronic acid, ((1R)-1-(((2S,3R)-3-hydroxy-1-oxo-2-(((6-phenyl-2-pyridinyl)carbonyl)amino)butyl)amino)-3-methylbutyl)-, Delanzomib [USAN:INN], delanzomibum, CEP18770, ((1R)-1-(((2s,3r)-3-hydroxy-2-(((6-phenylpyridin-2-yl)carbonyl)amino)-1-oxobutyl)amino)-3-methylbutyl)boronic acid, [(1R)-1-[[(2S,3R)-3-Hydroxy-2-[[(6-phenylpyridin-2-yl)carbonyl]amino]-1-oxobutyl]amino]-3-methylbutyl]boronic acid, Delanzomib (USAN), NPH007098, NPH 007098, CEP-18770; Delanzomib, Delanzomib (CEP18770), Delanzomib(CEP-18770), SCHEMBL555047, C21H28BN3O5, KS-00001CSL, CHEBI:141530, AOB87155, EX-A2040, 2309AH, BDBM50329819, AKOS022185107, ZINC169748228, API0013851, CS-1624, DB11956, NCGC00346469-01, NCGC00346469-05, AC-24847, BC600312, HY-10454, AB0174882, D10110, Z-3148, J-500001, (R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)butanamido)-3-methylbutylboronic acid, [(1R)-3-methyl-1-({N-[(6-phenylpyridin-2-yl)carbonyl]-L-threonyl}amino)butyl]boronic acid, [(1R)-1-[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)formamido]butanamido]-3-methylbutyl]boronic acid, [(1R)-1-[[(2S,3R)-3-hydroxy-1-oxo-2-[[oxo-(6-phenyl-2-pyridyl)methyl]amino]butyl]amino]-3-methylbutyl]boronic acid, [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]-3-methyl-butyl]boronic acid, [(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]-1-oxobutyl]amino]-3-methylbutyl]boronic acid, CEP-18770|||[(1R)-1-[[(2S,3R)-3-Hydroxy-2-[(6-phenylpyridine-2-carbonyl)amino]butanoyl]amino]-3-methylbutyl]boronic acid, Delanzomib [USAN], cc-287, A11145, ((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)butanamido)-3-methylbutan-2-yl)boronic acid, (R)-1-((2S,3R)-3-hydroxy-2-(2-phenylpicolinamido)butanamido)-3-methylbutan-2-ylboronic acid,

Complexity	557
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	413.212g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	413.281g/mol
Monoisotopic Mass	413.212g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number