Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LCU30F
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| Ligand Name |
2-Amino-4-[1-(carboxymethyl-carbamoyl)-2-(9-hydroxy-7,8-dioxo-7,8,9,10-tetrahydro-benzo[def]chrysen-10-ylsulfanyl)-ethylcarbamoyl]-butyric acid
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| Synonyms |
2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID; GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE; Q27460656
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| Structure |
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Download2D MOL |
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| Formula |
C30H27N3O9S
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| Canonical SMILES |
C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(=O)C5=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C=C2
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| InChI |
1S/C30H27N3O9S/c31-18(30(41)42)8-9-20(34)33-19(29(40)32-11-21(35)36)12-43-28-24-16-7-6-14-3-1-2-13-4-5-15(23(16)22(13)14)10-17(24)25(37)26(38)27(28)39/h1-7,10,18-19,27-28,39H,8-9,11-12,31H2,(H,32,40)(H,33,34)(H,35,36)(H,41,42)/t18-,19-,27-,28-/m0/s1
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| InChIKey |
DUWOHLGCRJLRRU-HVYZTVOGSA-N
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| PubChem Compound ID | ||||
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