endo-BCN-PEG4-Val-Cit-PAB-MMAE

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Catalog Number	CCR268
IUPAC Name	[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]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
Molecular Weight	1546.9
Molecular Formula	C80H127N11O19
Canonical 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)CCOCCOCCOCCOCCNC(=O)OCC4C5C4CCC#CCC5
InChI	InChI=1S/C80H127N11O19/c1-15-53(8)70(64(103-13)47-66(93)91-38-24-30-63(91)72(104-14)54(9)73(95)84-55(10)71(94)57-25-19-18-20-26-57)89(11)77(99)68(51(4)5)88-76(98)69(52(6)7)90(12)80(102)110-48-56-31-33-58(34-32-56)85-74(96)62(29-23-36-82-78(81)100)86-75(97)67(50(2)3)87-65(92)35-39-105-41-43-107-45-46-108-44-42-106-40-37-83-79(101)109-49-61-59-27-21-16-17-22-28-60(59)61/h18-20,25-26,31-34,50-55,59-64,67-72,94H,15,21-24,27-30,35-49H2,1-14H3,(H,83,101)(H,84,95)(H,85,96)(H,86,97)(H,87,92)(H,88,98)(H3,81,82,100)/t53-,54+,55+,59-,60+,61?,62-,63-,64+,67-,68-,69-,70-,71+,72+/m0/s1
InChI Key	SQKNRIOHJGDSGO-OJFXDSRXSA-N
Purity	99%+
Appearance	Solid
Application	SPAAC & SPANC Click Reaction
Storage	4 °C, Stored under nitrogen
Complexity	2900
Exact Mass	1545.93097086
Isomeric SMILES	CC[C@H](C)[C@@H]([C@@H](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@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 Mass	1545.93097086
Topological Polar Surface Area	385Å²

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