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

Details

Stereochemistry ABSOLUTE
Molecular Formula C73H121N23O19S
Molecular Weight 1656.95
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (77-91)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC3=CNC=N3)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O

InChI

InChIKey=BMHDHFKNYLLGDB-MRYAYIJUSA-N
InChI=1S/C73H121N23O19S/c1-40(2)27-51(66(107)95-56(36-99)70(111)96-59(41(3)4)72(113)88-49(21-11-15-25-76)64(105)89-50(73(114)115)22-12-16-26-77)91-67(108)52(28-43-17-7-6-8-18-43)90-60(101)42(5)84-71(112)57(37-116)85-58(100)33-81-62(103)54(34-97)93-69(110)55(35-98)94-68(109)53(30-45-32-80-39-83-45)92-65(106)48(20-10-14-24-75)87-63(104)47(19-9-13-23-74)86-61(102)46(78)29-44-31-79-38-82-44/h6-8,17-18,31-32,38-42,46-57,59,97-99,116H,9-16,19-30,33-37,74-78H2,1-5H3,(H,79,82)(H,80,83)(H,81,103)(H,84,112)(H,85,100)(H,86,102)(H,87,104)(H,88,113)(H,89,105)(H,90,101)(H,91,108)(H,92,106)(H,93,110)(H,94,109)(H,95,107)(H,96,111)(H,114,115)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,59-/m0/s1

HIDE SMILES / InChI

Approval Year