Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L35FZB
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| Ligand Name |
(3S)-5-[(2-Chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-enyl]phenyl}acetyl)-D-valyl]amino}-4-oxopentanoic acid
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| Synonyms |
(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID; CHEMBL81038; SCHEMBL12626030; BDBM10653; CINNAMIC ACID METHYL ESTER INHIBITOR; Q27458881; (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-(1-{2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetamido)-3-methylbutanamido]-4-oxopentanoic acid; [N-[2-Ethoxy-5-(3-oxo-3-methoxy-1-propenyl)phenylacetyl]-L-Val-L-Asp-methyl]2-chloro-6-fluorobenzyl sulfide
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| Structure |
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Download2D MOL
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| Formula |
C31H36ClFN2O8S
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| Canonical SMILES |
CCOC1=C(C=C(C=C1)C=CC(=O)OC)CC(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)CSCC2=C(C=CC=C2Cl)F
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| InChI |
1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1
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| InChIKey |
BBHZJDWNUYJWFP-FSJABKHUSA-N
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| PubChem Compound ID | ||||
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