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

Details

Stereochemistry ABSOLUTE
Molecular Formula C70H104N18O24S
Molecular Weight 1613.746
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (41-55)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CS)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=KGPQSIINVVWOHP-PBWZGSKHSA-N
InChI=1S/C70H104N18O24S/c1-8-34(4)55(85-63(104)43(25-38-14-10-9-11-15-38)77-51(91)30-74-57(98)35(5)71)66(107)83-44(26-39-29-73-32-75-39)60(101)84-47(31-113)69(110)88-23-13-17-49(88)65(106)86-56(37(7)89)67(108)78-40(18-20-52(92)93)58(99)81-45(27-50(72)90)61(102)79-41(19-21-53(94)95)68(109)87-22-12-16-48(87)64(105)82-46(28-54(96)97)62(103)80-42(24-33(2)3)59(100)76-36(6)70(111)112/h9-11,14-15,29,32-37,40-49,55-56,89,113H,8,12-13,16-28,30-31,71H2,1-7H3,(H2,72,90)(H,73,75)(H,74,98)(H,76,100)(H,77,91)(H,78,108)(H,79,102)(H,80,103)(H,81,99)(H,82,105)(H,83,107)(H,84,101)(H,85,104)(H,86,106)(H,92,93)(H,94,95)(H,96,97)(H,111,112)/t34-,35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1

HIDE SMILES / InChI

Approval Year