U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C71H124N22O25
Molecular Weight 1685.8767
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (157-171)]

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(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)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O

InChI

InChIKey=GRVCXPYBHSHGTN-MOGOFRBZSA-N
InChI=1S/C71H124N22O25/c1-35(2)31-46(65(112)90-48(34-94)66(113)92-56(38(6)95)68(115)87-43(21-24-52(98)99)60(107)81-37(5)57(104)83-44(22-25-53(100)101)63(110)88-45(20-23-50(76)96)69(116)93-30-14-19-49(93)70(117)118)82-51(97)33-80-59(106)47(32-54(102)103)89-67(114)55(36(3)4)91-64(111)41(17-9-12-28-74)85-62(109)42(18-13-29-79-71(77)78)86-61(108)40(16-8-11-27-73)84-58(105)39(75)15-7-10-26-72/h35-49,55-56,94-95H,7-34,72-75H2,1-6H3,(H2,76,96)(H,80,106)(H,81,107)(H,82,97)(H,83,104)(H,84,105)(H,85,109)(H,86,108)(H,87,115)(H,88,110)(H,89,114)(H,90,112)(H,91,111)(H,92,113)(H,98,99)(H,100,101)(H,102,103)(H,117,118)(H4,77,78,79)/t37-,38+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1

HIDE SMILES / InChI

Approval Year