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

Details

Stereochemistry ABSOLUTE
Molecular Formula C73H114N18O24S
Molecular Weight 1659.857
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [SURVIVIN (81-95)]

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](N)CO)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)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI

InChIKey=XMXALRULYOQCNE-WEMDVTPWSA-N
InChI=1S/C73H114N18O24S/c1-38(2)30-49(87-69(110)50(31-41-16-8-6-9-17-41)86-60(101)40(5)79-71(112)54(37-116)80-56(96)33-78-62(103)52(35-93)89-61(102)43(76)34-92)67(108)90-53(36-94)70(111)91-59(39(3)4)72(113)84-45(21-13-15-29-75)64(105)81-44(20-12-14-28-74)63(104)82-46(22-25-55(77)95)66(107)88-51(32-42-18-10-7-11-19-42)68(109)83-47(23-26-57(97)98)65(106)85-48(73(114)115)24-27-58(99)100/h6-11,16-19,38-40,43-54,59,92-94,116H,12-15,20-37,74-76H2,1-5H3,(H2,77,95)(H,78,103)(H,79,112)(H,80,96)(H,81,105)(H,82,104)(H,83,109)(H,84,113)(H,85,106)(H,86,101)(H,87,110)(H,88,107)(H,89,102)(H,90,108)(H,91,111)(H,97,98)(H,99,100)(H,114,115)/t40-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1

HIDE SMILES / InChI

Approval Year