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

Details

Stereochemistry ABSOLUTE
Molecular Formula C70H107N21O28
Molecular Weight 1690.7225
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (69-83)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(O)=O

InChI

InChIKey=QVCHHCRGXYIMEZ-TZZILYSWSA-N
InChI=1S/C70H107N21O28/c1-3-34(2)56(90-68(117)49-13-9-21-91(49)70(119)46(26-54(102)103)87-66(115)45(25-53(100)101)86-65(114)44(24-52(98)99)85-58(107)37-12-8-20-75-37)69(118)82-41(15-17-51(96)97)61(110)81-40(14-16-50(94)95)62(111)84-42(22-35-27-73-32-77-35)63(112)80-38(10-4-6-18-71)59(108)79-39(11-5-7-19-72)60(109)83-43(23-36-28-74-33-78-36)64(113)89-48(31-93)67(116)88-47(30-92)57(106)76-29-55(104)105/h27-28,32-34,37-49,56,75,92-93H,3-26,29-31,71-72H2,1-2H3,(H,73,77)(H,74,78)(H,76,106)(H,79,108)(H,80,112)(H,81,110)(H,82,118)(H,83,109)(H,84,111)(H,85,107)(H,86,114)(H,87,115)(H,88,116)(H,89,113)(H,90,117)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-/m0/s1

HIDE SMILES / InChI

Approval Year