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endo-BCN-Val-Cit-PAB-MMAE
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endo-BCN-Val-Cit-PAB-MMAE

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Catalog NumberCCR291
IUPAC Name[4-[[(2R)-2-[[(2S)-2-[[(1S,8R)-9-Bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[1-[[(2R)-1-[[(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
Molecular Weight1299.6
Molecular FormulaC69H106N10O14
Canonical SMILESCCC(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)OCC4C5C4CCC#CCC5
InChIInChI=1S/C69H106N10O14/c1-15-43(8)59(54(90-13)37-55(80)79-36-24-30-53(79)61(91-14)44(9)62(82)72-45(10)60(81)47-25-19-18-20-26-47)77(11)66(86)57(41(4)5)75-65(85)58(42(6)7)78(12)69(89)93-38-46-31-33-48(34-32-46)73-63(83)52(29-23-35-71-67(70)87)74-64(84)56(40(2)3)76-68(88)92-39-51-49-27-21-16-17-22-28-50(49)51/h18-20,25-26,31-34,40-45,49-54,56-61,81H,15,21-24,27-30,35-39H2,1-14H3,(H,72,82)(H,73,83)(H,74,84)(H,75,85)(H,76,88)(H3,70,71,87)/t43-,44+,45+,49-,50+,51?,52+,53-,54?,56-,57+,58?,59-,60+,61+/m0/s1
InChI KeyBMUJDOMWXLOOIQ-HYJGWESESA-N
Purity98%
ApplicationSPAAC & SPANC Click Reaction
Storage-20 °C
Complexity2510
Exact Mass1298.78899809
Isomeric SMILESCC[C@H](C)[C@@H](C(CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@@H](C(C)C)NC(=O)C(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)OCC4[C@H]5[C@@H]4CCC#CCC5
Monoisotopic Mass1298.78899809
Topological Polar Surface Area319Ų

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