TL;DR: LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)- (CAS 114681-52-6) is a chemical compound with molecular formula C56H76N16O11 and molecular weight 1148.5879 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[3-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxoprop-1-en-2-yl]amino]-1-oxo-3-phenylpropan-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
Also Known As: 5-Pdadg-LHRH, LHRH, phe(5)-delta-ala(6)-N-Et-pronh2(9)-, GNRH, phe(5)-delta-ala(6)-N-Et-pronh2(9)-, 5-Phe-6-delta-ala-9-N-Et-pronh2-10-des-glynh2-LHRH, LHRH, Phenylalanyl(5)-delta-alanyl(6)-N-ethylprolinamide(9)-des-glycinamide(10)-
| Molecular Formula | C56H76N16O11 |
| Molecular Weight | 1148.5879 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 411.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 30 |
| Exact Mass | 1148.5879 Da |
| Heavy Atoms | 83 |
| Complexity | 2330.0 |
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)C(=C)NC(=O)[C@H](CC2=CC=CC=C2)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 |
| InChIKey | CNKLBRNRTPHRBD-FKRLEHQTSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)-. The TPSA of 411.0 Ų indicates high polarity, suggesting LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)- has 14 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)- is 114681-52-6.
The molecular formula of LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)- is C56H76N16O11.
The molecular weight of LHRH, Phe(5)-delta-Ala(6)-N-Et-ProNH2(9)- is 1148.5879 g/mol.
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