Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3MOU1
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| Ligand Name |
tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
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| Synonyms |
tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate; X71
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| Structure |
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Download2D MOL
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| Formula |
C32H41N3O3S
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| Canonical SMILES |
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CSCC(CC2=CC=CC=C2)C(=O)NCCCC3=CN=CC=C3
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| InChI |
1S/C32H41N3O3S/c1-32(2,3)38-31(37)35-29(21-26-14-8-5-9-15-26)24-39-23-28(20-25-12-6-4-7-13-25)30(36)34-19-11-17-27-16-10-18-33-22-27/h4-10,12-16,18,22,28-29H,11,17,19-21,23-24H2,1-3H3,(H,34,36)(H,35,37)/t28-,29-/m0/s1
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| InChIKey |
BNWPKAULGXNAGV-VMPREFPWSA-N
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| PubChem Compound ID | ||||
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