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

Details

Stereochemistry ABSOLUTE
Molecular Formula C85H138N26O25
Molecular Weight 1924.1644
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [Zendusortide]

SMILES

CCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(O)=O

InChI

InChIKey=HKLIGBPHNLVCGT-AZTKDAFSSA-N
InChI=1S/C85H138N26O25/c1-9-10-22-52(73(125)105-58(37-49-20-12-11-13-21-49)77(129)101-54(24-15-17-34-87)75(127)108-61(42-112)79(131)102-57(31-32-66(119)120)76(128)109-62(43-113)80(132)107-60(83(135)136)38-50-27-29-51(115)30-28-50)100-78(130)59(39-63(88)116)106-74(126)56(26-19-36-94-85(91)92)104-82(134)68(45(4)5)111-65(118)41-96-69(121)46(6)97-71(123)53(23-14-16-33-86)99-70(122)47(7)98-72(124)55(25-18-35-93-84(89)90)103-81(133)67(44(2)3)110-64(117)40-95-48(8)114/h11-13,20-21,27-30,44-47,52-62,67-68,112-113,115H,9-10,14-19,22-26,31-43,86-87H2,1-8H3,(H2,88,116)(H,95,114)(H,96,121)(H,97,123)(H,98,124)(H,99,122)(H,100,130)(H,101,129)(H,102,131)(H,103,133)(H,104,134)(H,105,125)(H,106,126)(H,107,132)(H,108,127)(H,109,128)(H,110,117)(H,111,118)(H,119,120)(H,135,136)(H4,89,90,93)(H4,91,92,94)/t46-,47-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,67-,68-/m0/s1

HIDE SMILES / InChI

Approval Year