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Details

Stereochemistry ABSOLUTE
Molecular Formula C72H128N22O24S
Molecular Weight 1717.985
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (153-167)]

SMILES

CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=PLXHBDVAXOLXLF-LWIXEFKNSA-N
InChI=1S/C72H128N22O24S/c1-36(2)32-47(64(110)90-49(35-95)65(111)93-57(39(6)97)69(115)88-46(71(117)118)22-24-53(100)101)82-52(99)34-81-58(104)48(33-54(102)103)89-67(113)55(37(3)4)91-62(108)43(18-10-13-28-75)84-61(107)44(19-14-29-80-72(78)79)85-59(105)41(16-8-11-26-73)83-60(106)42(17-9-12-27-74)87-68(114)56(38(5)96)92-63(109)45(25-31-119-7)86-66(112)50-20-15-30-94(50)70(116)40(76)21-23-51(77)98/h36-50,55-57,95-97H,8-35,73-76H2,1-7H3,(H2,77,98)(H,81,104)(H,82,99)(H,83,106)(H,84,107)(H,85,105)(H,86,112)(H,87,114)(H,88,115)(H,89,113)(H,90,110)(H,91,108)(H,92,109)(H,93,111)(H,100,101)(H,102,103)(H,117,118)(H4,78,79,80)/t38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,55+,56+,57+/m1/s1

HIDE SMILES / InChI

Approval Year