Cas no 203849-91-6 (Mmad)

Mmad structure

Product Name:Mmad

CAS No:203849-91-6

MF:C₄₁H₆₆N₆O₆S

MW:771.0643

MDL:MFCD25976743

CID:2102441

PubChem ID:10723894

Update Time:2024-10-31

Mmad Chemical and Physical Properties

Names and Identifiers

- MMAD
- Demethyldolastatin 10
- 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
- L-Valinamide, 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
- MONOMETHYLDOLASTATIN 10
- GLXC-10063
- MMAD?
- 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
- DTXSID101010182
- (2S)-N-[(3R,4S,5S)-3-METHOXY-1-[(2S)-2-[(1R,2R)-1-METHOXY-2-METHYL-2-{[(1S)-2-PHENYL-1-(1,3-THIAZOL-2-YL)ETHYL]CARBAMOYL}ETHYL]PYRROLIDIN-1-YL]-5-METHYL-1-OXOHEPTAN-4-YL]-N,3-DIMETHYL-2-[(2S)-3-METHYL-2-(METHYLAMINO)BUTANAMIDO]BUTANAMIDE
- AKOS032960443
- SCHEMBL1687441
- W4ZIA40FZ9
- BS-15896
- L-Valinamide, 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-
- EX-A2650
- (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
- DB-094914
- CS-1613
- L-VALINAMIDE, 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-
- HY-15581
- 203849-91-6
- S6765
- CHEMBL3359823
- D83666
- Mmad
- MDL： MFCD25976743
- 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： S1C([H])=C([H])N=C1[C@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C([C@]([H])(C([H])([H])[H])[C@]([H])([C@]1([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])([H])[C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])N(C([H])([H])[H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C([H])([H])[H])=O)=O)OC([H])([H])[H])=O)OC([H])([H])[H])=O

Computed Properties

Exact Mass: 770.47645502 g/mol
Monoisotopic Mass: 770.47645502 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 3
Hydrogen Bond Acceptor Count: 9
Heavy Atom Count: 54
Rotatable Bond Count: 21
Complexity: 1190
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 9
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 5.3
Topological Polar Surface Area: 170
Molecular Weight: 771.1

Experimental Properties

Density: 1.119±0.06 g/cm3 (20 oC 760 Torr),
Solubility: Very slightly soluble (0.31 g/l) (25 o C),

Mmad Security Information

Storage Condition：4°C, stored under nitrogen

Mmad Pricemore >>

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