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LH-RH, human 25mg

CAT: 0628-A14918-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A14918-25Size:25 mg
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CAS Number
71447-49-9

Chemical Information

Gonadorelin Diacetate
CAS Number71447-49-9
PubChem CID56841073
IUPAC Nameacetic acid;(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC59H83N17O17
Molecular Weight1302.4
Topological Polar Surface Area549
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count31
Heavy Atom Count93
Formal Charge0
Complexity2420
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O.CC(=O)O
InChI
InChI=1S/C55H75N17O13.2C2H4O2/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;2*1-2(3)4/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);2*1H3,(H,3,4)/t36-,37-,38-,39-,40-,41-,42-,43-;;/m0../s1
InChIKey
QOVPLTBEZAJSHY-VIRDRFNDSA-N
Chemical Structure
2D Structure
2D structure of Gonadorelin Diacetate
CAS: 71447-49-9
CID: 56841073
Formula: C59H83N17O17
MW: 1302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1302.4
Hydrogen Bond Donor Count18
Hydrogen Bond Acceptor Count19
Rotatable Bond Count31
Exact Mass1301.61528425
Monoisotopic Mass1301.61528425
Topological Polar Surface Area549 Ų
Heavy Atom Count93
Formal Charge0
Complexity2420
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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