Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8HJ7B
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| Ligand Name |
tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
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| Synonyms |
tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate; DEJ
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| Structure |
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Download2D MOL
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| Formula |
C28H39N5O3S
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| Canonical SMILES |
CC(C)NC(CSCC(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C)C(=O)NCC3=CN=CC=C3
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| InChI |
1S/C28H39N5O3S/c1-19(2)32-25(26(34)31-15-20-9-8-12-29-14-20)18-37-17-22(33-27(35)36-28(3,4)5)13-21-16-30-24-11-7-6-10-23(21)24/h6-12,14,16,19,22,25,30,32H,13,15,17-18H2,1-5H3,(H,31,34)(H,33,35)/t22-,25-/m0/s1
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| InChIKey |
DBOABZUTUVHXIF-DHLKQENFSA-N
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| PubChem Compound ID | ||||
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