Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L2M8ZP
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| Ligand Name |
2-[(4-{2-Acetylamino-2-[4-(1-carboxy-3-methylsulfanyl-propylcarbamoyl)-butylcarbamoyl]-ethyl}-2-ethyl-phenyl)-oxalyl-amino]-benzoic acid
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| Synonyms |
2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AMINO]-BENZOIC ACID; 1nz7; INO]-BENZOIC ACID; SCHEMBL6495471; Q27456929
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| Structure |
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Download2D MOL
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| Formula |
C32H40N4O10S
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| Canonical SMILES |
CCC1=C(C=CC(=C1)CC(C(=O)NCCCCC(=O)NC(CCSC)C(=O)O)NC(=O)C)N(C2=CC=CC=C2C(=O)O)C(=O)C(=O)O
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| InChI |
1S/C32H40N4O10S/c1-4-21-17-20(12-13-25(21)36(29(40)32(45)46)26-10-6-5-9-22(26)30(41)42)18-24(34-19(2)37)28(39)33-15-8-7-11-27(38)35-23(31(43)44)14-16-47-3/h5-6,9-10,12-13,17,23-24H,4,7-8,11,14-16,18H2,1-3H3,(H,33,39)(H,34,37)(H,35,38)(H,41,42)(H,43,44)(H,45,46)/t23-,24-/m0/s1
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| InChIKey |
JYWLVKREVMTEJA-ZEQRLZLVSA-N
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| PubChem Compound ID | ||||
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