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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H51N5O6
Molecular Weight 649.82
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate, (S)-

SMILES

CC(C)(C)OC(=O)N(CCCCN(CC1=NC2=CC=CC=C2N1C(=O)OC(C)(C)C)[C@H]3CCCC4=CC=CN=C34)C(=O)OC(C)(C)C

InChI

InChIKey=AOYKHEPACZTMPP-NDEPHWFRSA-N
InChI=1S/C36H51N5O6/c1-34(2,3)45-31(42)40(32(43)46-35(4,5)6)23-13-12-22-39(28-20-14-16-25-17-15-21-37-30(25)28)24-29-38-26-18-10-11-19-27(26)41(29)33(44)47-36(7,8)9/h10-11,15,17-19,21,28H,12-14,16,20,22-24H2,1-9H3/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C36H51N5O6
Molecular Weight 649.82
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:07:27 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:27 GMT 2023
Record UNII
9W7SBY9CZX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate, (S)-
Systematic Name English
1H-Benzimidazole-1-carboxylic acid, 2-[[[4-[bis[(1,1-dimethylethoxy)carbonyl]amino]butyl][(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]methyl]-, 1,1-dimethylethyl ester
Systematic Name English
tert-Butyl 2-[[4-[bis(tert-butoxycarbonyl)amino]butyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazole-1-carboxylate
Systematic Name English
1,1-Dimethylethyl 2-[[[4-[bis[(1,1-dimethylethoxy)carbonyl]amino]butyl][(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]methyl]-1H-benzimidazole-1-carboxylate
Systematic Name English
(S)-tert-Butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate
Systematic Name English
Code System Code Type Description
CAS
865202-97-7
Created by admin on Sat Dec 16 20:07:27 GMT 2023 , Edited by admin on Sat Dec 16 20:07:27 GMT 2023
PRIMARY
FDA UNII
9W7SBY9CZX
Created by admin on Sat Dec 16 20:07:27 GMT 2023 , Edited by admin on Sat Dec 16 20:07:27 GMT 2023
PRIMARY
PUBCHEM
16050247
Created by admin on Sat Dec 16 20:07:27 GMT 2023 , Edited by admin on Sat Dec 16 20:07:27 GMT 2023
PRIMARY