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

Details

Stereochemistry ABSOLUTE
Molecular Formula C74H115N21O22S
Molecular Weight 1682.897
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (73-87)]

SMILES

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CNC=N3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=RGKJAIIVQYWAGU-ITXAJDFBSA-N
InChI=1S/C74H115N21O22S/c1-6-40(4)60(95-63(105)45-19-14-26-79-45)73(115)88-49(21-23-59(101)102)66(108)87-48(20-22-58(99)100)67(109)91-51(29-43-31-77-37-81-43)69(111)86-46(17-10-12-24-75)64(106)85-47(18-11-13-25-76)65(107)90-52(30-44-32-78-38-82-44)70(112)94-55(35-97)71(113)93-54(34-96)62(104)80-33-57(98)84-56(36-118)72(114)83-41(5)61(103)89-50(28-42-15-8-7-9-16-42)68(110)92-53(74(116)117)27-39(2)3/h7-9,15-16,31-32,37-41,45-56,60,79,96-97,118H,6,10-14,17-30,33-36,75-76H2,1-5H3,(H,77,81)(H,78,82)(H,80,104)(H,83,114)(H,84,98)(H,85,106)(H,86,111)(H,87,108)(H,88,115)(H,89,103)(H,90,107)(H,91,109)(H,92,110)(H,93,113)(H,94,112)(H,95,105)(H,99,100)(H,101,102)(H,116,117)/t40-,41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,60-/m0/s1

HIDE SMILES / InChI

Approval Year