RHODAMINE 110, BIS-(N-CBZ-L-LEUCYL-L-GLUTAMYL-L- GLUTAMYL-L-ASPARTIC ACID AMIDE)

pro_cas
pro_cdbregno
CCD00505229
pro_formula
C76H86N10O27
pro_molWeight
1571.56

basic_info

Product_Name: RHODAMINE 110, BIS-(N-CBZ-L-LEUCYL-L-GLUTAMYL-L- GLUTAMYL-L-ASPARTIC ACID AMIDE)
EnglishSynonyms: Z-LEED-R110 ; RHODAMINE 110, BIS-(N-CBZ-L-LEUCYL-L-GLUTAMYL-L- GLUTAMYL-L-ASPARTIC ACID AMIDE)
pro_mdlNumber: MFCD05861529
pro_acceptors: 37
pro_donors: 16
pro_smile: CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)NC1=CC2=C(C=C1)C1(OC(=O)C3=C1C=CC=C3)C1=C(O2)C=C(NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)C=C1
InChi: InChI=1S/C76H86N10O27/c1-39(2)31-53(85-74(108)110-37-41-13-7-5-8-14-41)71(105)81-49(23-27-59(87)88)65(99)79-51(25-29-61(91)92)67(101)83-55(35-63(95)96)69(103)77-43-19-21-47-57(33-43)112-58-34-44(20-22-48(58)76(47)46-18-12-11-17-45(46)73(107)113-76)78-70(104)56(36-64(97)98)84-68(102)52(26-30-62(93)94)80-66(100)50(24-28-60(89)90)82-72(106)54(32-40(3)4)86-75(109)111-38-42-15-9-6-10-16-42/h5-22,33-34,39-40,49-56H,23-32,35-38H2,1-4H3,(H,77,103)(H,78,104)(H,79,99)(H,80,100)(H,81,105)(H,82,106)(H,83,101)(H,84,102)(H,85,108)(H,86,109)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t49-,50-,51-,52-,53-,54-,55-,56-/m0/s1
InChiKey: InChIKey=VWKAETSRLXXZQB-MENCHSDRSA-N

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