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Details

Stereochemistry ABSOLUTE
Molecular Formula C71H105N19O25
Molecular Weight 1624.7057
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [PRAME (137-151)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(O)=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=DZDLGAFCYLKOFM-AJYNXFNPSA-N
InChI=1S/C71H105N19O25/c1-35(2)27-45(84-64(108)49(33-92)87-57(101)36(3)78-59(103)42(13-8-24-76-71(74)75)81-63(107)47(30-53(73)95)80-54(96)31-77-58(102)41(72)32-91)61(105)85-46(28-39-16-18-40(94)19-17-39)62(106)88-50(34-93)65(109)86-48(29-38-11-6-5-7-12-38)69(113)90-26-10-15-52(90)67(111)83-44(21-23-56(99)100)68(112)89-25-9-14-51(89)66(110)82-43(20-22-55(97)98)60(104)79-37(4)70(114)115/h5-7,11-12,16-19,35-37,41-52,91-94H,8-10,13-15,20-34,72H2,1-4H3,(H2,73,95)(H,77,102)(H,78,103)(H,79,104)(H,80,96)(H,81,107)(H,82,110)(H,83,111)(H,84,108)(H,85,105)(H,86,109)(H,87,101)(H,88,106)(H,97,98)(H,99,100)(H,114,115)(H4,74,75,76)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1

HIDE SMILES / InChI

Approval Year