Urofollitropin
(2R)-1-[(4S,7S,10S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2R)-butan-2-yl]-10-[(1S)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Molecular Identity
Urofollitropin
(2R)-1-[(4S,7S,10S,16R,19S)-19-amino-7-(2-amino-2-oxoethyl)-13-[(2R)-butan-2-yl]-10-[(1S)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
PubChem CID: 73759969
2D Structure
Properties
C42H65N11O12S2
Molecular Formula
980.20
Molecular Weight
g/mol
979.4256
Exact Mass
Da
-1.5
XLogP
Drug-like (Lipinski: < 5)
427
TPSA
May have limited oral absorption
12
H-Bond Donors
15
H-Bond Acceptors
1790
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)C(C)OIsomeric SMILES
SMILES: CC[C@@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CSSC[C@H](C(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@@H]3C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)[C@H](C)OSynonyms(20)
urofolitropinaurofollitropinaurofollitropineFertinormFortinexFostimonurofollitropinumNeo FertinormFollitropin humanGonadotraphon FSHUrinary Human FSHMetrodin High PurityHuman FSH, UrinaryRefChem:551High Purity, Metrodin
Data from PubChem (NCBI)
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Trials and conditions connected to Urofollitropin
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