Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8Y7EP
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| Ligand Name |
2-{4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-carboxy-phenyl}-malonic acid
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| Synonyms |
RU85052; CHEMBL421518; 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID; BDBM14690; 1o44; Q27456832; {4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid; 2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]carbamoyl}ethyl]phenyl}propanedioic acid
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| Structure |
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Download2D MOL |
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| Formula |
C34H35N3O9
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| Canonical SMILES |
CC(=O)NC(CC1=CC(=C(C=C1)C(C(=O)O)C(=O)O)C(=O)O)C(=O)NC2CCCCN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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| InChI |
1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
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| InChIKey |
CGOGPQNYHFBUEF-NSOVKSMOSA-N
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| PubChem Compound ID | ||||
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