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

Details

Stereochemistry ABSOLUTE
Molecular Formula C84H129N21O23S
Molecular Weight 1833.115
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [HUMAN TELOMERASE REVERSE TRANSCRIPTASE PEPTIDE P766]

SMILES

CSCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CNC=N4)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=JERXLZAISFACFC-VEXWZVKPSA-N
InChI=1S/C84H129N21O23S/c1-42(2)33-52(85)70(114)104-68(47(10)106)81(125)101-61(39-66(111)112)77(121)98-57(34-43(3)4)74(118)96-56(25-27-64(86)108)82(126)105-31-16-20-63(105)79(123)100-58(37-49-21-23-51(107)24-22-49)75(119)95-55(29-32-129-11)73(117)93-53(19-15-30-90-84(87)88)71(115)94-54(26-28-65(109)110)72(116)99-59(36-48-17-13-12-14-18-48)78(122)103-67(45(7)8)80(124)92-46(9)69(113)97-60(38-50-40-89-41-91-50)76(120)102-62(83(127)128)35-44(5)6/h12-14,17-18,21-24,40-47,52-63,67-68,106-107H,15-16,19-20,25-39,85H2,1-11H3,(H2,86,108)(H,89,91)(H,92,124)(H,93,117)(H,94,115)(H,95,119)(H,96,118)(H,97,113)(H,98,121)(H,99,116)(H,100,123)(H,101,125)(H,102,120)(H,103,122)(H,104,114)(H,109,110)(H,111,112)(H,127,128)(H4,87,88,90)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,67-,68-/m0/s1

HIDE SMILES / InChI

Approval Year