(Z-ILE-GLU-THR-ASP)2-R110

CAS No.
CCD No.
CCD07546512
Formula
C74 H86 N10 O25
MolWeight
1515.54

Basic Information

Product Name: (Z-ILE-GLU-THR-ASP)2-R110
English Synonyms: (Z-ILE-GLU-THR-ASP)2-R110
MDL Number.: MFCD22666116
H bond acceptor: 35
H bond donor: 16
Smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)OCc6ccccc6)NC(=O)OCc7ccccc7
InChi: InChI=1S/C74H86N10O25/c1-7-37(3)59(83-72(104)106-35-41-17-11-9-12-18-41)67(99)77-49(27-29-55(87)88)63(95)81-61(39(5)85)69(101)79-51(33-57(91)92)65(97)75-43-23-25-47-53(31-43)108-54-32-44(24-26-48(54)74(47)46-22-16-15-21-45(46)71(103)109-74)76-66(98)52(34-58(93)94)80-70(102)62(40(6)86)82-64(96)50(28-30-56(89)90)78-68(100)60(38(4)8-2)84-73(105)107-36-42-19-13-10-14-20-42/h9-26,31-32,37-40,49-52,59-62,85-86H,7-8,27-30,33-36H2,1-6H3,(H,75,97)(H,76,98)(H,77,99)(H,78,100)(H,79,101)(H,80,102)(H,81,95)(H,82,96)(H,83,104)(H,84,105)(H,87,88)(H,89,90)(H,91,92)(H,93,94)/t37-,38-,39+,40+,49-,50-,51-,52-,59-,60-,61-,62-/m0/s1
InChiKey: InChIKey=VRQMOEXSJMZRCK-LJECFEKISA-N

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