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

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H65N15O11
Molecular Weight 1028.1236
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [DES-9-L-PROLINE,10-GLYCINE-GONADORELIN]

SMILES

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@@H]5CCC(=O)N5)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

InChI

InChIKey=IDPRUPBEDNGDRC-CXWHUAPYSA-N
InChI=1S/C48H65N15O11/c1-25(2)16-34(44(71)59-32(41(49)68)8-5-15-53-48(50)51)58-40(67)22-55-42(69)35(17-26-9-11-29(65)12-10-26)60-47(74)38(23-64)63-45(72)36(18-27-20-54-31-7-4-3-6-30(27)31)61-46(73)37(19-28-21-52-24-56-28)62-43(70)33-13-14-39(66)57-33/h3-4,6-7,9-12,20-21,24-25,32-38,54,64-65H,5,8,13-19,22-23H2,1-2H3,(H2,49,68)(H,52,56)(H,55,69)(H,57,66)(H,58,67)(H,59,71)(H,60,74)(H,61,73)(H,62,70)(H,63,72)(H4,50,51,53)/t32-,33-,34-,35-,36-,37-,38-/m0/s1

HIDE SMILES / InChI

Approval Year