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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H51N5O7
Molecular Weight 641.798
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BQ-788 FREE ACID

SMILES

CCCC[C@@H](NC(=O)[C@@H](CC1=CN(C(=O)OC)C2=C1C=CC=C2)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](C)CCC[C@H]3C)C(O)=O

InChI

InChIKey=LPAHKJMGDSJDRG-DJYQTOCQSA-N
InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H51N5O7
Molecular Weight 641.798
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:35:29 UTC 2023
Edited
by admin
on Sat Dec 16 08:35:29 UTC 2023
Record UNII
6MB0YNA8DJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BQ-788 FREE ACID
Common Name English
D-NORLEUCINE, N-((CIS-2,6-DIMETHYL-1-PIPERIDINYL)CARBONYL)-4-METHYL-L-LEUCYL-1-(METHOXYCARBONYL)-D-TRYPTOPHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
5311032
Created by admin on Sat Dec 16 08:35:29 UTC 2023 , Edited by admin on Sat Dec 16 08:35:29 UTC 2023
PRIMARY
CAS
173326-37-9
Created by admin on Sat Dec 16 08:35:29 UTC 2023 , Edited by admin on Sat Dec 16 08:35:29 UTC 2023
PRIMARY
FDA UNII
6MB0YNA8DJ
Created by admin on Sat Dec 16 08:35:29 UTC 2023 , Edited by admin on Sat Dec 16 08:35:29 UTC 2023
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY