Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LKU8V0
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| Ligand Name |
2-[3-Benzyl-5-(1-alanyl-aminoethyl)-2,3,6,7-tetrahydro-1H-azepin-1-YL]-1-oxopropyl-valinyl-valine-methylester
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| Synonyms |
SB-203238; CHEMBL506279; 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER; 1hbv; BDBM50473786; methyl (2S)-2-[[(2S)-2-[[(2S)-2-[(3R)-5-[(1S)-1-[[(2S)-2-aminopropanoyl]amino]ethyl]-3-benzyl-2,3,6,7-tetrahydroazepin-1-yl]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate; Q27460628
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| Structure |
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Download2D MOL
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| Formula |
C32H51N5O5
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| Canonical SMILES |
CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(C)N1CCC(=CC(C1)CC2=CC=CC=C2)C(C)NC(=O)C(C)N
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| InChI |
1S/C32H51N5O5/c1-19(2)27(31(40)36-28(20(3)4)32(41)42-8)35-30(39)23(7)37-15-14-26(22(6)34-29(38)21(5)33)17-25(18-37)16-24-12-10-9-11-13-24/h9-13,17,19-23,25,27-28H,14-16,18,33H2,1-8H3,(H,34,38)(H,35,39)(H,36,40)/t21-,22-,23-,25+,27-,28-/m0/s1
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| InChIKey |
AAROLUGLGDXGEZ-CFILSVQKSA-N
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| PubChem Compound ID | ||||
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