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

Details

Stereochemistry ABSOLUTE
Molecular Formula C89H132N24O21
Molecular Weight 1874.1486
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (9-23)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCCN)C(O)=O

InChI

InChIKey=LULGZOCZUUDPFX-UCZJTGBBSA-N
InChI=1S/C89H132N24O21/c1-7-49(4)72(85(130)110-68(46-114)83(128)112-73(51(6)115)86(131)109-64(40-53-24-12-9-13-25-53)78(123)103-61(88(133)134)29-17-19-35-91)111-76(121)59(30-20-36-97-89(94)95)101-81(126)66(42-55-45-96-47-99-55)106-82(127)67(43-71(117)118)107-75(120)58(28-16-18-34-90)100-77(122)62(38-48(2)3)105-79(124)63(39-52-22-10-8-11-23-52)108-84(129)69-31-21-37-113(69)87(132)60(32-33-70(93)116)102-80(125)65(104-74(119)50(5)92)41-54-44-98-57-27-15-14-26-56(54)57/h8-15,22-27,44-45,47-51,58-69,72-73,98,114-115H,7,16-21,28-43,46,90-92H2,1-6H3,(H2,93,116)(H,96,99)(H,100,122)(H,101,126)(H,102,125)(H,103,123)(H,104,119)(H,105,124)(H,106,127)(H,107,120)(H,108,129)(H,109,131)(H,110,130)(H,111,121)(H,112,128)(H,117,118)(H,133,134)(H4,94,95,97)/t49-,50-,51+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,72-,73-/m0/s1

HIDE SMILES / InChI

Approval Year