Fertirelin
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-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
Also Known As: Fertirelin|Fertirelina|Fertireline|Fertirelinum|Fertirelin acetate|fertilerine|Conceral|Ovalyse|fertirelin acetat|fertilerine acetate|Fertirelin (INN)|Fertirelin monoacetate|Fertireline [INN-French]|Fertirelin [INN:BAN]|DGNH-LHRH|Fertirelinum [INN-Latin]|Fertirelina [INN-Spanish]|9-N-Et-Pronh2-LHRH|TAP 031|TAP-031|GNRH, N-Et-pronh2(9)-|GTPL9341|LHRH, N-ethylprolinamide(9)-|(Des-Gly10,Pro-NHEt9)-LHRH|Des-Gly(sup 10)-GNRH-ethylamide|GnRH, (N)-Et-ProNH2(9)-|Luteinizing hormone releasing factor|LHRH, (N)-Et-ProNH2(9)-|Tox21_113925|8127AH|TP1288
| Molecular Formula | C55H76N16O12 |
|---|---|
| Molecular Weight | 1152.5829 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 432.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1152.5829 |
| Monoisotopic Mass | 1152.5829 |
| Heavy Atoms | 83 |
| Complexity | 2280.0 |
Chemical Identifiers
| CAS Number | 7399-53-3 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)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 |
| InChIKey | DGCPIBPDYFLAAX-YTAGXALCSA-N |
Product Overview
Fertirelin (CAS 7399-53-3), with molecular formula C55H76N16O12 and molecular weight 1152.5829 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-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.