SuO-Val-Cit-PAB-MMAE

• CAT Number: I013750
• Molecular Formula: C₆₃H₉₇N₁₁O₁₆
• Molecular Weight: 1264.51
• Purity: ≥95%
• Target: Drug-Linker Conjugates for ADC
• Solubility: DMSO: 10 mM
• IUPAC Name: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]-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
• InChI: InChI=1S/C63H97N11O16/c1-15-38(8)53(46(87-13)33-49(77)73-32-20-24-45(73)55(88-14)39(9)56(79)66-40(10)54(78)42-21-17-16-18-22-42)71(11)60(83)51(36(4)5)69-59(82)52(37(6)7)72(12)63(86)89-34-41-25-27-43(28-26-41)67-57(80)44(23-19-31-65-61(64)84)68-58(81)50(35(2)3)70-62(85)90-74-47(75)29-30-48(74)76/h16-18,21-22,25-28,35-40,44-46,50-55,78H,15,19-20,23-24,29-34H2,1-14H3,(H,66,79)(H,67,80)(H,68,81)(H,69,82)(H,70,85)(H3,64,65,84)/t38-,39+,40+,44-,45-,46+,50-,51-,52-,53-,54+,55+/m0/s1
• InChIKey: CIQIZABZFKYHOV-ZUYLRLFMSA-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)ON4C(=O)CCC4=O

SuO-Val-Cit-PAB-MMAE is a drug-linker conjugate for ADC by using the anti-mitotic agent, monomethyl auristatin E (MMAE), linked via the peptide SuO-Val-Cit-PAB.