Details of Dioscorin
| IUPAC | (2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxybutylidene]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxy-3-sulfanylpropylidene]amino]-1,3-dihydroxybutylidene]amino]-4-carboxy-1-hydroxybutylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-3-methylpentylidene]amino]hexanoic acid |
| Canonical Smiles | CCC(C)C(C(=NC(C(C)O)C(=NC(CC1=CNC2=CC=CC=C21)C(=NC(C(C)O)C(=NC(C(C)C)C(=NC(C(C)CC)C(=NC(CCCCN)C(=O)O)O)O)O)O)O)O)N=C(C(CC(=O)O)N=C(C(CCC(=O)O)N=C(C(C(C)O)N=C(C(CS)N=C(C3CCCN3C(=O)C4CCCN4C(=O)C(C)N=C(C(C(C)O)N=C(C(CC5=CC=C(C=C5)O)N=C(C(CO)N=C(CN=C(C(CCSC)N=C(C(CC6=CC=C(C=C6)O)N=C(C(CCCNC(=N)N)N)O)O)O)O)O)O)O)O)O)O)O)O |
| Inchi | DESNFLIQQYFATA-TUFKDYCQSA-N |
| PubChem ID | 132537535 |
| Smiles | CCC(C)C(N=C(O)C(CC(=O)O)N=C(O)C(CCC(=O)O)N=C(O)C(N=C(O)C(CS)N=C(O)C1CCCN1C(=O)C1CCCN1C(=O)C(C)N=C(O)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(CO)N=C(O)CN=C(O)C(CCSC)N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N)CCCNC(=N)N)C(C)O)C(C)O)C(=O)NC(C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(O)=NC(C(O)=NC(C(O)=NC(CCCCN)C(=O)O)C(C)CC)C(C)C)C(C)O)C(C)O |
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