Val-Cit-PAB-MMAE structure, CAS 644981-35-1

Val-Cit-PAB-MMAE

CAS Number644981-35-1

Synonyms

Molecular FormulaC58H94O12N10

Molecular Weight1123.44

Purity

Density1.2±0.1 g/cm3

Boiling Point1211.9±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-2188176 Purity:
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Quality Control of [ 644981-35-1 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number644981-35-1
Catalog No.2A-2188176
Chinese NameVAL-CIT-PAB-MMAE
Molecular FormulaC58H94O12N10
Molecular Weight1123.44
Density1.2±0.1 g/cm3
Boiling Point1211.9±65.0 °C at 760 mmHg
Storage Condition2-8℃
ApplicationVal-Cit-PAB-MMAE is part of an antibody-drug conjugate. It is composed of the peptide Val-Cit-PAB and the antimitotic agent monomethylastatin (MMAE).
PubChem ID237504885
MDL NumberMFCD30377205
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)C(NC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(N)C(C)C)cc1)C(C)C
InChIInChI=1S/C58H94N10O12/c1-15-36(8)49(44(78-13)31-45(69)68-30-20-24-43(68)51(79-14)37(9)52(71)62-38(10)50(70)40-21-17-16-18-22-40)66(11)56(75)47(34(4)5)65-55(74)48(35(6)7)67(12)58(77)80-32-39-25-27-41(28-26-39)63-53(72)42(23-19-29-61-57(60)76)64-54(73)46(59)33(2)3/h16-18,21-22,25-28,33-38,42-44,46-51,70H,15,19-20,23-24,29-32,59H2,1-14H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H3,60,61,76)/t36-,37+,38+,42-,43-,44+,46-,47-,48-,49-,50+,51+/m0/s1
InChI KeyWZEAGSMYTVSXQA-XZZQEHRXSA-N
Transport InfoProduct name: Val-Cit-PAB-MMAE
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