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

Details

Stereochemistry ABSOLUTE
Molecular Formula C77H124N18O23
Molecular Weight 1669.9153
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (93-107)]

SMILES

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC2=CNC=N2)[C@@H](C)O)C(C)C)C(C)C)C(O)=O

InChI

InChIKey=RQUVHVVTAIVYCU-IAOYHXEASA-N
InChI=1S/C77H124N18O23/c1-37(2)26-50(69(109)89-55(33-60(102)103)73(113)94-62(42(11)12)75(115)92-56(77(117)118)29-40(7)8)84-57(97)35-81-66(106)54(32-59(100)101)88-71(111)52(28-39(5)6)90-74(114)61(41(9)10)93-64(104)43(13)83-67(107)48(22-18-19-25-78)85-72(112)53(30-45-20-16-15-17-21-45)91-76(116)63(44(14)96)95-68(108)49(23-24-58(98)99)86-70(110)51(27-38(3)4)87-65(105)47(79)31-46-34-80-36-82-46/h15-17,20-21,34,36-44,47-56,61-63,96H,18-19,22-33,35,78-79H2,1-14H3,(H,80,82)(H,81,106)(H,83,107)(H,84,97)(H,85,112)(H,86,110)(H,87,105)(H,88,111)(H,89,109)(H,90,114)(H,91,116)(H,92,115)(H,93,104)(H,94,113)(H,95,108)(H,98,99)(H,100,101)(H,102,103)(H,117,118)/t43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-/m0/s1

HIDE SMILES / InChI

Approval Year