U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H30Cl2N6O6S
Molecular Weight 685.578
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-0668

SMILES

OC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=NC=C2Cl)C=C1)NC(=O)[C@@H]3C[C@H](CN3S(=O)(=O)C4=CC=CC(=C4)C#N)NC5CCC5

InChI

InChIKey=USYYNLPEWBGIMJ-ICTDUYRTSA-N
InChI=1S/C31H30Cl2N6O6S/c32-24-15-35-16-25(33)28(24)30(41)37-21-9-7-18(8-10-21)12-26(31(42)43)38-29(40)27-13-22(36-20-4-2-5-20)17-39(27)46(44,45)23-6-1-3-19(11-23)14-34/h1,3,6-11,15-16,20,22,26-27,36H,2,4-5,12-13,17H2,(H,37,41)(H,38,40)(H,42,43)/t22-,26+,27+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MK-0668
Common Name English
N-(N-((3-CYANOPHENYL)SULFONYL)-4(R)-CYCLOBUTYLAMINO-(L)-PROLYL)-4-((3',5'-DICHLOROISONICOTINOYL) AMINO)-(L)-PHENYLALANINE
Common Name English
L-PHENYLALANINE, (4R)-1-((3-CYANOPHENYL)SULFONYL)-4-(CYCLOBUTYLAMINO)-L-PROLYL-4-(((3,5-DICHLORO-4-PYRIDINYL)CARBONYL)AMINO)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11433918
Created by admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
PRIMARY
CAS
865110-07-2
Created by admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
PRIMARY
CAS
1193752-11-2
Created by admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
SUPERSEDED
FDA UNII
S441P37178
Created by admin on Sat Dec 16 01:56:37 GMT 2023 , Edited by admin on Sat Dec 16 01:56:37 GMT 2023
PRIMARY