AG004L2B

866030-35-5 | tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate

AG004L2B

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CAS Number	866030-35-5
Catalog Number	AG004L2B(AGN-PC-0V70JD)
Chemical Name	tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate
EC Number	617-890-7
IUPAC Name	tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
InChI	InChI=1S/C30H49NO7/c1-19(2)22(15-21-11-12-25(35-9)27(16-21)36-14-10-13-34-8)17-24(31-29(33)38-30(5,6)7)26-18-23(20(3)4)28(32)37-26/h11-12,16,19-20,22-24,26H,10,13-15,17-18H2,1-9H3,(H,31,33)/t22-,23-,24-,26-/m0/s1
InChI Key	CYUJPKOZIGBPOO-IGRGDXOOSA-N
MDL Number	MFCD20526612
Molecular Formula	C30H49NO7
Molecular Weight	535.7126
SMILES	COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)=C1
Synonyms	866030-35-5, tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate, [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic acid tert-butyl ester, CYUJPKOZIGBPOO-IGRGDXOOSA-N, AK105047, SCHEMBL842150, C30H49NO7, CTK5F7004, DTXSID60469997, [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-tert-Butyl Ester, tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate, 3584AC, ANW-70758, MFCD20526612, ZINC72131527, AKOS015994960, AKOS016007785, DS-4442, AC-28921, AX8239255, TC-159503, FT-0671257, ST24049380, (3S)-3alpha-Isopropyl-5beta-[(1S,3S)-1-(tert-butoxycarbonylamino)-3-[3-(3-methoxypropoxy)-4-methoxybenzyl]-4-methylpentyl]tetrahydrofuran-2-one, [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-tert-Butyl Ester, {(1S,3S)-1-((2S,4S)-4-isopropyl-5-oxo-tetrahydrofuran-2-yl)-3-[4-methoxy-3-(3-methoxypropoxy)-benzyl]-4-methyl-pentyl}-carbamic acid tert-butyl ester, N-[(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-Dimethylethyl Ester, tert-Butyl {(3S)-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[(2S,4S)-5-oxo-4-(propan-2-yl)oxolan-2-yl]pentyl}carbamate, Intermediate of Aliskiren, CS-O-31273, CID11649505, CID 11599074, tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropo,

Complexity	720
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	535.351g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	535.722g/mol
Monoisotopic Mass	535.351g/mol
Rotatable Bond Count	16
Topological Polar Surface Area	92.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.4

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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