AG00CKPW

365998-36-3 | (5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester

AG00CKPW

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CAS Number	365998-36-3
Catalog Number	AG00CKPW(AGN-PC-0RCFH8)
Chemical Name	(5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester
IUPAC Name	tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate
InChI	InChI=1S/C14H27N3O3/c1-14(2,3)20-13(19)16-11-8-9(6-7-10(11)15)12(18)17(4)5/h9-11H,6-8,15H2,1-5H3,(H,16,19)/t9-,10-,11+/m0/s1
InChI Key	JCHIBKSSZNWERE-GARJFASQSA-N
MDL Number	MFCD22190570
Molecular Formula	C14H27N3O3
Molecular Weight	285.3825
SMILES	O=C(OC(C)(C)C)N[C@H]1[C@@H](N)CC[C@H](C(N(C)C)=O)C1
Synonyms	365998-36-3, tert-Butyl ((1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl)carbamate, tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate, tert-butyl (1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexylcarbamate, (5H-Pyrrolo[3,4-d]thiazole-5-carboxylic acid,2-[[[(1R,2S,5S)-2-[[(5-chloro-1H-indol-2-yl)carbonyl]aMino]-5-[(diMethylaMino)carbonyl]cyclohexyl]aMino]carbonyl]-4,6-dihydro-,1,1-diMethylethyl ester, Carbamic acid, N-[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester, tert-Butyl [(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate, SCHEMBL4089866, DTXSID40677331, JCHIBKSSZNWERE-GARJFASQSA-N, KS-000005OX, MFCD22190570, ZINC138693248, ACN-038222, SB13383, AC-30307, AK167062, QC-10003, CS-0054366, D-1315, ert-butyl (1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexylcarbamate, tert-butyl(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexylcarbamate, (1S,2R,4S)-N2-(tert-Butoxycarbonyl)-4-(N,N-dimethylcarbamoyl)-1,2-cyclohexanediamine, [(1R,2S,5S)-2-Amino-5-(dimethylcarbamoyl)cyclohexyl]carbamic acid tert-butyl ester, tert-Butyl [(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]carbamate, Carbamic acid,[(1R,2S,5S)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-,1,1-dimethylethyl ester, N-[(1R,2S,5S)-2-Amino-5-[(dimethylamino)carbonyl]cyclohexyl]-carbamic acid, 1,1-dimethylethyl ester, tert-butyl(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexylcarbamate, PBCMRBAMIC ACID, N-[(1R,2S,5S)-2-AMINO-5-[(DIMETHYLAMINO)CARBONYL]CYCLOHEXYL]-, 1,1-DIMETHYLETHYL ESTER,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	285.205g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	285.388g/mol
Monoisotopic Mass	285.205g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	84.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number