Account (S)-1-((3S,6S,9S,12S,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide
- Catalog No. :
- ACURMV855
- CAS No. :
- 38234-21-8
- Molecular Formula :
- C55H76N16O12
- Molecular Weight :
- 1153.31
IUPAC Name:(S)-1-((3S,6S,9S,12S,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide
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Product Information
| Product Name | (S)-1-((3S,6S,9S,12S,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (S)-1-((3S,6S,9S,12S,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide |
| Molecular Formula | C55H76N16O12 |
| Molecular Weight | 1153.31 |
| 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](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1 |
| InChI Key | DGCPIBPDYFLAAX-YTAGXALCSA-N |
| Synonym | MS-32015 | DTXSID8057728 | Fertirelina | Q27286835 | DTXCID9031517 | CHEBI:177856 | NCGC00262930-01 | Fertirelin [INN:BAN] | Fertireline [INN-French] | Fertirelinum [INN-Latin] | CAS-38234-21-8 | 1-9-Luteinizing hormone-releasing factor (swine),9-(N-ethyl |
| CAS No. | 38234-21-8 |
| PubChem CID | 188304 |
Synthetic Route by SureRoute
2. ACURMV855 Molecular Building Block Synthetic Route
(S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6-((1H-indol-3-yl)methyl)-21-(3-((diaminomethylene)amino)propyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-15-methyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide
(S)-N-(2-amino-2-oxoethyl)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-tryptophyl-L-leucyl)pyrrolidine-2-carboxamide
(5-Oxopyrrolidine-2-carbonyl)histidyltryptophylseryltyrosylglycylleucylarginylprolylglycine