Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8QA2E
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| Ligand Name |
tert-butyl N-[(2S)-1-[(2S)-1-oxo-3-phenyl-1-[3-(2H-pyridin-2-id-3-yl)propylamino]propan-2-yl]sulfanyl-3-phenylpropan-2-yl]carbamate
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| Synonyms |
tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate; X7M
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| Structure |
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Download2D MOL
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| Formula |
C31H38N3O3S-
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CSC(CC2=CC=CC=C2)C(=O)NCCCC3=[C-]N=CC=C3
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| InChI |
1S/C31H38N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/q-1/t27-,28-/m0/s1
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| InChIKey |
YTJCPZYZAYCYOQ-NSOVKSMOSA-N
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| PubChem Compound ID | ||||
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