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Formyl-LHRH (2-10)

CAT: 1410-M41348Size: 1 EachDry Ice: NoHazardous: No
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Description
Formyl-LHRH (2-10)
CAS Number
211376-91-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
1099.22
Molecular Formula
C51H70N16O12
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Formyl-LHRH (2-10) Trifluoroacetate
CAS Number211376-91-9
PubChem CID145707423
IUPAC Name(2S)-N-(2-amino-2-oxoethyl)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]pentanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC53H71F3N16O14
Molecular Weight1213.2
Topological Polar Surface Area483
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count30
Heavy Atom Count86
Formal Charge0
Complexity2210
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(=O)(C(F)(F)F)O
InChI
InChI=1S/C51H70N16O12.C2HF3O2/c1-28(2)17-37(46(75)63-35(9-5-15-56-51(53)54)50(79)67-16-6-10-41(67)49(78)58-23-42(52)71)62-43(72)24-59-44(73)38(18-29-11-13-32(70)14-12-29)64-48(77)40(25-68)66-47(76)39(19-30-21-57-34-8-4-3-7-33(30)34)65-45(74)36(61-27-69)20-31-22-55-26-60-31;3-2(4,5)1(6)7/h3-4,7-8,11-14,21-22,26-28,35-41,57,68,70H,5-6,9-10,15-20,23-25H2,1-2H3,(H2,52,71)(H,55,60)(H,58,78)(H,59,73)(H,61,69)(H,62,72)(H,63,75)(H,64,77)(H,65,74)(H,66,76)(H4,53,54,56);(H,6,7)/t35-,36-,37-,38-,39-,40-,41-;/m0./s1
InChIKey
IGUQEWJNWLNRKR-FOMFOXEDSA-N
Chemical Structure
2D Structure
2D structure of Formyl-LHRH (2-10) Trifluoroacetate
CAS: 211376-91-9
CID: 145707423
Formula: C53H71F3N16O14
MW: 1213.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1213.2
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count19
Rotatable Bond Count30
Exact Mass1212.52877549
Monoisotopic Mass1212.52877549
Topological Polar Surface Area483 Ų
Heavy Atom Count86
Formal Charge0
Complexity2210
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes