MONOMETHYL AURISTATIN F

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 Search

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

Molecular Formula	C39H65N5O8
Molecular Weight	731.9621
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Tubulin 69 Target ID: CHEMBL2111464 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27518442	Inhibitor 8297		60.0 nM [Kd]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:10:36 UTC 2023` Edited by `admin` on `Sat Dec 16 11:10:36 UTC 2023`
Record UNII	1Z1AI9IW5L
Record Status	`Validated (UNII)`
Record Version

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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