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endo-BCN-PEG4-Val-Cit-PAB-MMAF
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endo-BCN-PEG4-Val-Cit-PAB-MMAF

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Catalog NumberCCR292
IUPAC Name(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[[4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[[(1R,8S)-9-Bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
Molecular Weight1560.9
Molecular FormulaC80H125N11O20
Canonical SMILESCCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)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)CCOCCOCCOCCOCCNC(=O)OCC4C5C4CCC#CCC5
InChIInChI=1S/C80H125N11O20/c1-14-53(8)70(64(104-12)47-66(93)91-37-23-29-63(91)71(105-13)54(9)72(94)86-62(77(99)100)46-55-24-18-17-19-25-55)89(10)76(98)68(51(4)5)88-75(97)69(52(6)7)90(11)80(103)111-48-56-30-32-57(33-31-56)84-73(95)61(28-22-35-82-78(81)101)85-74(96)67(50(2)3)87-65(92)34-38-106-40-42-108-44-45-109-43-41-107-39-36-83-79(102)110-49-60-58-26-20-15-16-21-27-59(58)60/h17-19,24-25,30-33,50-54,58-64,67-71H,14,20-23,26-29,34-49H2,1-13H3,(H,83,102)(H,84,95)(H,85,96)(H,86,94)(H,87,92)(H,88,97)(H,99,100)(H3,81,82,101)/t53-,54+,58-,59+,60?,61-,62-,63-,64+,67-,68-,69-,70-,71+/m0/s1
InChI KeyKEPINEXREDNSRD-QANGYRNISA-N
Purity98%
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity2970
Exact Mass1559.91023542
Isomeric SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCOCCOCCOCCOCCNC(=O)OCC4[C@H]5[C@@H]4CCC#CCC5
Monoisotopic Mass1559.91023542
Topological Polar Surface Area402Ų

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