monomethyl auristatin E (Q6901739)

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chemical compound

monomethylauristatin E
MMAE

Language	Label	Description	Also known as
English	monomethyl auristatin E	chemical compound	monomethylauristatin E MMAE

Statements

type of chemical entity

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chemical compound

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chemical structure

Monomethylauristatin E.svg
512 × 249; 73 KB

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717.504 dalton

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

chemical formula

C₃₉H₆₇N₅O₇

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

canonical SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

isomeric SMILES

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

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

Identifiers

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

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

DASWEROEPLKSEI-UIJRFTGLSA-N

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

monomethyl auristatin e (English)

19 October 2016

DASWEROEPLKSEI-UIJRFTGLSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=474645-27-7

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

1 reference

language of work or name

Monomethyl auristatin E (English)

19 October 2016

1 reference

language of work or name

CHEMBL2103835 (English)

19 October 2016

UniChem compound ID

1 reference

811-424-8

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

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]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide (English)

CAS no.: 474645-27-7 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

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]-1-pyrrolidinyl]-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide (English)

CAS no.: 474645-27-7 (English)

1 reference

Global Substance Registration System

language of work or name

monomethyl auristatin e (English)

19 October 2016

Probes And Drugs ID

0 references

0 references

1 reference

Freebase Data Dumps

publication date

28 October 2013

Microsoft Academic ID

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

5IYZ (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4ZHQ (English)

19 October 2016

Sitelinks

Wikipedia(7 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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