(3S,10S,14S)-tri-tert-butyl 3-(naphthalen-2-ylmethyl)-1,4,12-trioxo-1-((1S,4S)-4-(((S)-3-(4-(trimethylstannyl)phenyl)-2-(2-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetamido)propanamido)methyl)cyclohexyl)-2,5,11,13-tetraazahexadecane-10,14,16-tricarboxylate

Catalog No. : KL-2750912-004

Cas No. : 2750912-00-4

Standard English name : (3S,10S,14S)-tri-tert-butyl 3-(naphthalen-2-ylmethyl)-1,4,12-trioxo-1-((1S,4S)-4-(((S)-3-(4-(trimethylstannyl)phenyl)-2-(2-(4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetamido)propanamido)methyl)cyclohexyl)-2,5,11,13-tetraazahexadecane-10,14,16-tricarboxylate

Molecular Formula : C₈₅H₁₃₆N₁₀O₁₇Sn

Molecular Weight : 1,688.76

MDL No. :

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Basic information

GHS
Smiles	O=C([C@@H]1CC[C@@H](CNC([C@@H](NC(CN2CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CC2)=O)CC2=CC=C([Sn](C)(C)C)C=C2)=O)CC1)N[C@H](C(NCCCC[C@@H](C(OC(C)(C)C)=O)NC(N[C@H](C(OC(C)(C)C)=O)CCC(OC(C)(C)C)=O)=O)=O)CC1=CC2=C(C=CC=C2)C=C1
Inchi	InChI=1S/C82H127N10O17.3CH3.Sn/c1-77(2,3)104-67(94)38-37-63(75(102)109-82(16,17)18)88-76(103)87-62(74(101)108-81(13,14)15)30-24-25-39-83-72(99)65(50-58-33-34-59-28-22-23-29-61(59)48-58)86-71(98)60-35-31-57(32-36-60)51-84-73(100)64(49-56-26-20-19-21-27-56)85-66(93)52-89-40-42-90(53-68(95)105-78(4,5)6)44-46-92(55-70(97)107-80(10,11)12)47-45-91(43-41-89)54-69(96)106-79(7,8)9;;;;/h20-23,26-29,33-34,48,57,60,62-65H,24-25,30-32,35-47,49-55H2,1-18H3,(H,83,99)(H,84,100)(H,85,93)(H,86,98)(H2,87,88,103);3*1H3;/t57-,60-,62-,63-,64-,65-;;;;/m0..../s1
InchiKey	JVXGZBFDROOGKI-SQQDCSOFSA-N
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