MONOMETHYL AURISTATIN E

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C39H67N5O7
Molecular Weight	717.9786
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MONOMETHYL AURISTATIN E

Structure Search

SMILES

[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)C2=CC=CC=C2)OC)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)C)C(C)C

InChI

InChIKey=DASWEROEPLKSEI-UIJRFTGLSA-N

InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C39H67N5O7
Molecular Weight	717.9786
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:12:02 UTC 2023` Edited by `admin` on `Fri Dec 15 16:12:02 UTC 2023`
Record UNII	V7I58RC5EJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MONOMETHYL AURISTATIN E

Common Name

English

SGD-1010

Code

English

MONOMETHYLAURISTATIN E [MI]

Common Name

English

MMAE

Common Name

English

N-METHYL-L-VALYL-N-((1S,2R)-4-((2S)-2-((1R,2R)-3-(((1R,2S)-2-HYDROXY-1-METHYL-2-PHENYLETHYL)AMINO)-1-METHOXY-2-METHYL-3-OXOPROPYL)PYRROLIDIN-1-YL)-2-METHOXY-1-((1S)-1-METHYLPROPYL)-4-OXOBUTYL)-N-METHYL-L-VALINAMIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C67422

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

FDA ORPHAN DRUG

643918

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C122637

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

MERCK INDEX

m7610

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

Merck Index

SMS_ID

300000003540

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

CAS

474645-27-7

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

PUBCHEM

11542188

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

WIKIPEDIA

MONOMETHYL AURISTATIN E

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

EPA CompTox

DTXSID101028844

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

FDA UNII

V7I58RC5EJ

Created by admin on Fri Dec 15 16:12:02 UTC 2023 , Edited by admin on Fri Dec 15 16:12:02 UTC 2023

PRIMARY

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