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

Details

Stereochemistry ABSOLUTE
Molecular Formula C84H131N19O27
Molecular Weight 1839.05
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

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

SMILES

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC1=CC=CC=C1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=LEYAFXWEIBRWJY-KXDXVZAESA-N
InChI=1S/C84H131N19O27/c1-43(2)35-57(102-82(128)69(47(9)104)103-81(127)60(38-46(7)8)98-76(122)55(27-31-66(110)111)95-75(121)54(26-30-65(108)109)92-70(116)50(86)39-48-19-12-10-13-20-48)71(117)90-42-63(105)91-53(25-29-64(106)107)74(120)100-61(40-49-21-14-11-15-22-49)79(125)99-58(36-44(3)4)77(123)93-51(23-16-17-33-85)73(119)97-59(37-45(5)6)78(124)101-62(41-68(114)115)80(126)94-52(24-18-34-89-84(87)88)72(118)96-56(83(129)130)28-32-67(112)113/h10-15,19-22,43-47,50-62,69,104H,16-18,23-42,85-86H2,1-9H3,(H,90,117)(H,91,105)(H,92,116)(H,93,123)(H,94,126)(H,95,121)(H,96,118)(H,97,119)(H,98,122)(H,99,125)(H,100,120)(H,101,124)(H,102,128)(H,103,127)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)(H4,87,88,89)/t47-,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,69+/m1/s1

HIDE SMILES / InChI

Molecular Formula C84H131N19O27
Molecular Weight 1839.05
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:21:16 GMT 2025
Edited
by admin
on Wed Apr 02 12:21:16 GMT 2025
Record UNII
Z4HD6Y6LTL
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition