Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L97SBQ
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| Ligand Name |
(3S,6S,7R,9aS)-N-benzyl-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-7-[(propanoylamino)methyl]-3,6,7,8,9,9a-hexahydropyrrolo[1,2-a]azepine-3-carboxamide
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| Structure |
 |
Download2D MOL |
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| Formula |
C25H35N5O4
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| Canonical SMILES |
CCC(=O)NCC1CCC2C=CC(N2C(=O)C1NC(=O)C(C)NC)C(=O)NCC3=CC=CC=C3
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| InChI |
1S/C25H35N5O4/c1-4-21(31)27-15-18-10-11-19-12-13-20(24(33)28-14-17-8-6-5-7-9-17)30(19)25(34)22(18)29-23(32)16(2)26-3/h5-9,12-13,16,18-20,22,26H,4,10-11,14-15H2,1-3H3,(H,27,31)(H,28,33)(H,29,32)/t16-,18+,19-,20-,22-/m0/s1
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| InChIKey |
JUEBKGOOCOQQTH-ZFVOUSBOSA-N
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| PubChem Compound ID | ||||
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