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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H61N3O8
Molecular Weight 651.8741
Optical Activity ( - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BOC ALISKIREN

SMILES

COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1

InChI

InChIKey=OKPJBCVKXMMXTJ-LJWNLINESA-N
InChI=1S/C35H61N3O8/c1-22(2)25(17-24-13-14-29(44-11)30(18-24)45-16-12-15-43-10)19-27(38-33(42)46-34(5,6)7)28(39)20-26(23(3)4)31(40)37-21-35(8,9)32(36)41/h13-14,18,22-23,25-28,39H,12,15-17,19-21H2,1-11H3,(H2,36,41)(H,37,40)(H,38,42)/t25-,26-,27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H61N3O8
Molecular Weight 651.8741
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:44:39 UTC 2023
Edited
by admin
on Thu Jul 06 16:44:39 UTC 2023
Record UNII
S744PYU6D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BOC ALISKIREN
Common Name English
CARBAMIC ACID, N-((1S,2S,4S)-4-(((3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)AMINO)CARBONYL)-2-HYDROXY-1-((2S)-2-((4-METHOXY-3-(3-METHOXYPROPOXY)PHENYL)METHYL)-3-METHYLBUTYL)-5-METHYLHEXYL)-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
53348234
Created by admin on Thu Jul 06 16:44:39 UTC 2023 , Edited by admin on Thu Jul 06 16:44:39 UTC 2023
PRIMARY
FDA UNII
S744PYU6D7
Created by admin on Thu Jul 06 16:44:39 UTC 2023 , Edited by admin on Thu Jul 06 16:44:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID90693581
Created by admin on Thu Jul 06 16:44:39 UTC 2023 , Edited by admin on Thu Jul 06 16:44:39 UTC 2023
PRIMARY
CAS
173338-07-3
Created by admin on Thu Jul 06 16:44:39 UTC 2023 , Edited by admin on Thu Jul 06 16:44:39 UTC 2023
PRIMARY
Related Record Type Details
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