CAS No. 646502-53-6

VcMMAE Pricing >

 

Product Information

Chemical Formula: C68H105N11O15
Molecular Weight:1316.63
Synonyms:Vcmmae; Mc-Val-Cit-Pab-Mmae; Maleimidocaproyl-Valine-Citrulline-P-Aminobenzoyloxycarbonyl-Monomethyl Auristatin E; 4-((S)-2-((S)-2-(6-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)Hexanamido)-3-Methylbutanamido)-5-Ureidopentanamido)Benzyl((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-Hydroxy-1-Phenylpropan-2-Yl)Amino)-1-Methoxy-2-Methyl-3-Oxopropyl)Pyrrolidin-1-Y; Mc-Vc-Pab-Mmae,Mc-Val-Cit-Pab-Mmae; Maleimido-Caproyl-Val-Cit-Pab-Mmae; Vemmae; Eos-60990
MDL No.:MFCD25372036
EINECS / EC No.:N/A
Pubchem CID:46944733
IUPAC Name:[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
Standard InchI:InChI=1S/C68H105N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-34,40-45,49-51,56-61,84H,15,17,20-23,26-28,35-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1
InchI Key:NLMBVBUNULOTNS-HOKPPMCLSA-N
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)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCCCN4C(=O)C=CC4=O
Appearance:-
Melting Point:N/A
Boiling Point:1347.6±65.0 °C at 760 mmHg
Density (Theoretical):N/A

Safety Information

Signal Word: Warning
Hazard Statements:H302
Precautionary Statements:P280-P305 P351 P338
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07