Emideltide
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid
| Molecular Formula | C35H48N10O15 |
|---|---|
| Molecular Weight | 848.8 g/mol |
| LogP | -7.1 |
| Topological Polar Surface Area | 407.0 A2 |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 25 |
| Exact Mass | 848.3301 |
| Heavy Atoms | 60 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 62568-57-4 |
|---|---|
| SMILES | CC(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N |
| InChIKey | ZRZROXNBKJAOKB-GFVHOAGBSA-N |
📖 Product Overview
Emideltide (CAS: 62568-57-4) is a chemical compound with molecular formula C35H48N10O15 and molecular weight 848.8 g/mol. Its IUPAC systematic name is (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid.
ZRZROXNBKJAOKB-GFVHOAGBSA-N.
SMILES: CC(C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)N.
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