AG002MZD

233691-67-3 | Carbamic acid, N-[(1S)-5-(acetylamino)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]pentyl]-, 1,1-dimethylethyl ester

AG002MZD

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CAS Number	233691-67-3
Catalog Number	AG002MZD(AGN-PC-0QZOC4)
Chemical Name	Carbamic acid, N-[(1S)-5-(acetylamino)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]pentyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(2S)-6-acetamido-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxohexan-2-yl]carbamate
InChI	InChI=1S/C23H31N3O6/c1-14-12-20(28)31-19-13-16(9-10-17(14)19)25-21(29)18(8-6-7-11-24-15(2)27)26-22(30)32-23(3,4)5/h9-10,12-13,18H,6-8,11H2,1-5H3,(H,24,27)(H,25,29)(H,26,30)/t18-/m0/s1
InChI Key	SUTRDULVNIPNLW-SFHVURJKSA-N
MDL Number	MFCD02683946
Molecular Formula	C23H31N3O6
Molecular Weight	445.5087
SMILES	O=C(OC(C)(C)C)N[C@@H](CCCCNC(C)=O)C(NC1=CC(O2)=C(C=C1)C(C)=CC2=O)=O
Synonyms	Boc-Lys(Ac)-AMC, 233691-67-3, (S)-tert-Butyl (6-acetamido-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl)carbamate, Nalpha-Boc-Nepsilon-acetyl-L-lysine 7-amido-4-methylcoumarin, Histone Deacetylase Substrate, Fluorogenic, C23H31N3O6, N-(4-Methyl-7-coumarinyl)-Nalpha-(t-butoxycarbonyl)-Nomega-acetyllysinamide, Boc-L(Ac)-AMC, Boc-Lys(Ac)-7-Amino-4-Methylcoumarin, Boc-Ac-Lys-AMC, Bachem I-1875, HDAC Substrate (Fluorometric), CHEMBL184757, SCHEMBL3204645, BDBM24625, CTK8E7071, DTXSID90431743, 6405AH, MFCD02683946, ZINC15722302, AKOS025294958, ACM233691673, AS-46872, RT-014650, K-6405, Carbamic acid, N-[(1S)-5-(acetylamino)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]pentyl]-, 1,1-dimethylethyl ester, tert-butyl {(1S)-5-(acetylamino)-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl}carbamate, tert-butyl N-[(1S)-5-acetamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]pentyl]carbamate, BOC-LYS -AMC, CID9846360, A8713, mal, Tert-butyl N-[5-acetamido-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]pentyl]carbamate, tert-butyl (S)-(6-acetamido-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxohexan-2-yl)carbamate,

Complexity	743
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	445.221g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	445.516g/mol
Monoisotopic Mass	445.221g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	123A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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