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Details

Stereochemistry ABSOLUTE
Molecular Formula C64H83N17O12
Molecular Weight 1282.4505
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESLORELIN

SMILES

[H][C@]1(CCC(=O)N1)C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CC3=CNC4=C3C=CC=C4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CC=C(O)C=C5)C(=O)N[C@H](CC6=CNC7=CC=CC=C67)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N8CCC[C@H]8C(=O)NCC

InChI

InChIKey=GJKXGJCSJWBJEZ-XRSSZCMZSA-N
InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)46(15-9-23-69-64(65)66)74-56(86)47(25-35(2)3)75-58(88)49(27-37-30-70-43-13-7-5-11-41(37)43)77-57(87)48(26-36-17-19-40(83)20-18-36)76-61(91)52(33-82)80-59(89)50(28-38-31-71-44-14-8-6-12-42(38)44)78-60(90)51(29-39-32-67-34-72-39)79-55(85)45-21-22-54(84)73-45/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,86)(H,75,88)(H,76,91)(H,77,87)(H,78,90)(H,79,85)(H,80,89)(H4,65,66,69)/t45-,46-,47-,48-,49+,50-,51-,52-,53-/m0/s1

HIDE SMILES / InChI

Molecular Formula C64H83N17O12
Molecular Weight 1282.4505
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
TKG3I66TVE
Record Status Validated (UNII)
Record Version