CAS No. 203849-91-6

 

Product Information

Chemical Formula: C41H66N6O6S
Molecular Weight:771.06
Synonyms:MMAD; Demethyldolastatin 10; Mmad; Monomethyl Dolastatin 10; Monomethylauristatin D; (S)-N-((3R,4S,5S)-3-Methoxy-1-((S)-2-((1R,2R)-1-Methoxy-2-Methyl-3-Oxo-3-(((S)-2-Phenyl-1-(Thiazol-2-Yl)Ethyl)Amino)Propyl)Pyrrolidin-1-Yl)-5-Methyl-1-Oxoheptan-4-Yl)-N,3-Dimethyl-2-((S)-3-Methyl-2-(Methylamino)Butanamido)Butanamide; N-Methyl-L-Valyl-N-[(1S,2R)-2-Methoxy-4-[(2S)-2-[(1R,2R)-1-Methoxy-2-Methyl-3-Oxo-3-[[(1S)-2-Phenyl-1-(2-Thiazolyl)Ethyl]Amino]Propyl]-1-Pyrrolidinyl]-1-[(1S)-1-Methylpropyl]-4-Oxobutyl]-N-Methyl-L-Valinamide; Eos-60620; Mmad (Demethyldolastatin 10
MDL No.:MFCD25976743
EINECS / EC No.:N/A
Pubchem CID:10723894
IUPAC Name:(2S)-N-[(2S)-1-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
Standard InchI:InChI=1S/C41H66N6O6S/c1-12-27(6)36(46(9)41(51)35(26(4)5)45-39(50)34(42-8)25(2)3)32(52-10)24-33(48)47-21-16-19-31(47)37(53-11)28(7)38(49)44-30(40-43-20-22-54-40)23-29-17-14-13-15-18-29/h13-15,17-18,20,22,25-28,30-32,34-37,42H,12,16,19,21,23-24H2,1-11H3,(H,44,49)(H,45,50)/t27-,28+,30-,31-,32+,34-,35-,36-,37+/m0/s1
InchI Key:BLUGYPPOFIHFJS-UUFHNPECSA-N
SMILES:CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC
Appearance:-
Melting Point:N/A
Boiling Point:N/A
Density (Theoretical):N/A

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07