AG002RES

260264-93-5 | Benzenepentanamide, N-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-α-[(1S)-1-(formylhydroxyamino)ethyl]-, (αR)-

AG002RES

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CAS Number	260264-93-5
Catalog Number	AG002RES(AGN-PC-0R1XT0)
Chemical Name	Benzenepentanamide, N-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-α-[(1S)-1-(formylhydroxyamino)ethyl]-, (αR)-
IUPAC Name	(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide
InChI	InChI=1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
InChI Key	GHVMTHKJUAOZJP-CGTJXYLNSA-N
MDL Number	MFCD19381832
Molecular Formula	C21H33N3O4
Molecular Weight	391.5044
SMILES	O=C(N[C@H](C(NC)=O)C(C)(C)C)[C@@H]([C@@H](N(C=O)O)C)CCCC1=CC=CC=C1
Synonyms	3-(formylhydroxyamino)-2-(3-phenyl-1-propyl)butanoic acid (2,2-dimethyl-1-methylcarbamoyl-1-propyl)amide, GI 254023, GI-254023, GI254023, GI254023X, 260264-93-5, GI 254023X, GI254023X, GI-254023X, GI4023, GI 254023X(GI 4023;SRI 028594), C21H33N3O4, (2R)-N-[(1S)-2,2-Dimethyl-1-[(methylamino)carbonyl]propyl]-2-[(1S)-1-(N-hydroxyformamido)ethyl]-5-phenylpentanamide, (2R,3S)-3-(Formylhydroxyamino)-2-(3-phenyl-1-propyl)butanoic acid [(1S)-2,2-dimethyl-1-(methylcarbamoyl)-1-propyl]amide, GHVMTHKJUAOZJP-CGTJXYLNSA-N, BIDD:PXR0042, GTPL9687, CHEMBL1229516, SCHEMBL11989235, AOB3611, DTXSID20433275, SYN5072, CHEBI:143102, (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide, ZINC3820678, MFCD19381832, AKOS024457920, CS-7675, GI-4023, KS-0000183D, AC-27562, AS-16438, HY-19956, GI254023X, >=98% (HPLC), A818145, J-016226, (R)-N-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-2-((S)-1-(nhydroxyformamido), (2r)-n-[(1s)-2,2-dimethyl-1-[(methylamino)carbonyl]-propyl]-2-[(1s)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide, (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]-2-[(1S)-1-[methanoyl(oxidanyl)amino]ethyl]-5-phenyl-pentanamide, (2R,3S)-3-(formyl-hydroxyamino)-2-(3-phenyl-1-propyl)butanoic acid [(1S)-2,2-dimethyl-1-methylcarbamoyl-1-propyl]amide, (R)-N-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-2-((S)-1-(N-hydroxyformamido)ethyl)-5-phenylpentanamide, Benzenepentanamide, N-[(1S)-2,2-dimethyl-1-[(methylamino)carbonyl]propyl]-alpha-[(1S)-1-(formylhydroxyamino)ethyl]-, (alphaR)-, N(2)-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide, N^2^-[(2R)-2-{(1S)-1-[FORMYL(HYDROXY)AMINO]ETHYL}-5-PHENYLPENTANOYL]-N,3-DIMETHYL-L-VALINAMIDE, N~2~-[(2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide, CID9952396, CID 9952396, GI254023, GI 254023, GI-254023, A4436, C555398, 3-(formylhydroxyamino)-2-(3-phenyl-1-propyl)butanoic acid (2,2-dimethyl-1-methylcarbamoyl-1-propyl)amide,

Complexity	512
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	391.247g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	391.512g/mol
Monoisotopic Mass	391.247g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	98.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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