Products 229180-41-0
CAS 229180-41-0 is the registry number for Contulakin G. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3S)-3-[2-acetamido-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2S,3R,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]oxy-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid (CAS 229180-41-0) is a chemical compound with the molecular formula C89H144N20O34 and a molecular weight of 2038.2 g/mol. IUPAC name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3S)-3-[2-acetamido-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2S,3R,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]oxy-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid. InChIKey: BDYYRSHYAJPHLA-CDMGOGEFSA-N.
| Molecular formula | C89H144N20O34 |
|---|---|
| Molecular weight | 2038.2 g/mol |
| IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R,3S)-3-[2-acetamido-4-hydroxy-5-(hydroxymethyl)-3-[(1R,2S,3R,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxycyclohexyl]oxy-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoyl]amino]butanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid |
| InChIKey | BDYYRSHYAJPHLA-CDMGOGEFSA-N |
| SMILES | C[C@@H]([C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)CN[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCC(=O)N3)OC4CC(C(C(C4NC(=O)C)O[C@@H]5C[C@H]([C@H]([C@H]([C@@H]5O)O)O)CO)O)CO |
Computed by PubChem (NCBI)
Synonyms:
Contulakin G, Contulakin-G