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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H65N5O8
Molecular Weight 731.9621
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOMETHYL AURISTATIN F

SMILES

[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=MFRNYXJJRJQHNW-DEMKXPNLSA-N
InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
60.0 nM [Kd]
Name Type Language
MONOMETHYL AURISTATIN F
Common Name English
MMAF
Common Name English
L-PHENYLALANINE, N-METHYL-L-VALYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-
Systematic Name English
MONOMETHYLAURISTATIN PHENYLALANINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID601031563
Created by admin on Sat Dec 16 11:10:37 GMT 2023 , Edited by admin on Sat Dec 16 11:10:37 GMT 2023
PRIMARY
CAS
745017-94-1
Created by admin on Sat Dec 16 11:10:37 GMT 2023 , Edited by admin on Sat Dec 16 11:10:37 GMT 2023
PRIMARY
PUBCHEM
10395173
Created by admin on Sat Dec 16 11:10:37 GMT 2023 , Edited by admin on Sat Dec 16 11:10:37 GMT 2023
PRIMARY
WIKIPEDIA
Monomethylauristatin F
Created by admin on Sat Dec 16 11:10:37 GMT 2023 , Edited by admin on Sat Dec 16 11:10:37 GMT 2023
PRIMARY
FDA UNII
1Z1AI9IW5L
Created by admin on Sat Dec 16 11:10:37 GMT 2023 , Edited by admin on Sat Dec 16 11:10:37 GMT 2023
PRIMARY