AG001RRK

160232-08-6 | Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester

AG001RRK

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CAS Number	160232-08-6
Catalog Number	AG001RRK(AGN-PC-0Q7U80)
Chemical Name	Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
EC Number	605-203-3
IUPAC Name	tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
InChI	InChI=1S/C19H32N2O3/c1-14(2)12-20-13-17(22)16(11-15-9-7-6-8-10-15)21-18(23)24-19(3,4)5/h6-10,14,16-17,20,22H,11-13H2,1-5H3,(H,21,23)/t16-,17+/m0/s1
InChI Key	NVEPLQDORJSXRO-DLBZAZTESA-N
MDL Number	MFCD15144668
Molecular Formula	C19H32N2O3
Molecular Weight	336.4690
SMILES	CC(C)CNC[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C
Synonyms	160232-08-6, tert-Butyl ((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate, tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate, tert-butyl (2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamate, NVEPLQDORJSXRO-DLBZAZTESA-N, AK102871, SCHEMBL1104912, CTK4D0382, KS-00000QAJ, DTXSID10432611, tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate, ANW-65318, MFCD15144668, ZINC22053590, AKOS015895860, CS-W006450, DS-3963, RL02057, tert-Butyl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, AC-28968, AJ-80800, BC600212, SC-44315, AB1004603, AX8234410, RT-015965, FT-0652557, ST24049386, Y6610, I06-1303, J-009696, J-524379, tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutyl, t-Butyl ((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate, tert-butyl (1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate, tert-butyl(1s,2r)-1-benzyl-2-hydroxy-3-(isobutylamino)propylcarbamate, ([1S,2R]-(1-Benzyl-2-hydroxy-3-(isobutyl-amino)propyl)carbamic acid tert-butyl ester, (1S,2R)-(1-benzyl-2-hydroxy-3-isobutylamino-propyl)-carbamic acid tert-butyl ester, (1S,2R)-tert-butyl N-[1-benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate, [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamic acid tert-butyl ester, [(1S,2R)-3-[(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester, Carbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-,1,1-dimethylethyl ester, N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamic Acid 1,1-Dimethylethyl Ester, C19H32N2O3, CID9902339, EC 605-203-3, 1-(4-BROMOPHENYL)-N-ETHYLMETHANESULFONAMIDE, ([1S,2R]-(1-Benzyl-2-hydroxy-3-(isobutyl-amino)propyl)carbamic acid tert-butylester, tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate, Tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenyl-butan-2-yl]carbamate, tert-Butyl((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamate, Carbamic acid,[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester,

Complexity	360
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	336.241g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	336.476g/mol
Monoisotopic Mass	336.241g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	70.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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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