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Details

Stereochemistry ABSOLUTE
Molecular Formula C64H81N15O13
Molecular Weight 1268.4231
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUTEINIZING HORMONE-RELEASING HORMONE, (D-PHE(SUP 2)-D-(PH)GLY(SUP 6))-

SMILES

CC(C)C[C@H](NC(=O)[C@H](NC(=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=CC=CC=C4)NC(=O)[C@@H]5CCC(=O)N5)C6=CC=CC=C6)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N7CCC[C@H]7C(=O)NCC(N)=O

InChI

InChIKey=DOMXDBNVWHXOHU-NOTUSHQKSA-N
InChI=1S/C64H81N15O13/c1-36(2)29-46(56(85)72-45(19-11-27-68-64(66)67)63(92)79-28-12-20-51(79)61(90)70-34-52(65)82)76-62(91)54(39-15-7-4-8-16-39)78-59(88)48(31-38-21-23-41(81)24-22-38)74-60(89)50(35-80)77-58(87)49(32-40-33-69-43-18-10-9-17-42(40)43)75-57(86)47(30-37-13-5-3-6-14-37)73-55(84)44-25-26-53(83)71-44/h3-10,13-18,21-24,33,36,44-51,54,69,80-81H,11-12,19-20,25-32,34-35H2,1-2H3,(H2,65,82)(H,70,90)(H,71,83)(H,72,85)(H,73,84)(H,74,89)(H,75,86)(H,76,91)(H,77,87)(H,78,88)(H4,66,67,68)/t44-,45-,46-,47+,48-,49-,50-,51-,54+/m0/s1

HIDE SMILES / InChI

Molecular Formula C64H81N15O13
Molecular Weight 1268.4231
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
W61275603Q
Record Status FAILED
Record Version