BQ-123

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H42N6O7
Molecular Weight	610.7012
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](CC3=CNC4=CC=CC=C34)NC1=O)C(C)C

InChI

InChIKey=VYCMAAOURFJIHD-PJNXIOHISA-N

InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H42N6O7
Molecular Weight	610.7012
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 `Fri Dec 15 16:31:12 UTC 2023` Edited by `admin` on `Fri Dec 15 16:31:12 UTC 2023`
Record UNII	S2A8YZM151
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BQ-123

Common Name

English

CYCLO(D-.ALPHA.-ASPARTYL-L-PROLYL-D-VALYL-L-LEUCYL-D-TRYPTOPHYL)

Systematic Name

English

CYCLO(D-TRP-D-ASP-PRO-D-VAL-LEU)

Common Name

English

2-((3R,6R,9S,12R,15S)-6-(1H-INDOL-3-YLMETHYL)-9-(2-METHYLPROPYL)-2,5,8,11,14-PENTAOXO-12-PROPAN-2-YL-1,4,7,10,13-PENTAZABICYCLO(13.3.0)OCTADECAN-3-YL)ACETIC ACID

Systematic Name

English

BQ123

Code

English

Code System Code Type Description

FDA UNII

S2A8YZM151