Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1XJO6
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| Ligand Name |
(2~{R})-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-formamido-3-phenyl-propanamide
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| Synonyms |
(2~{R})-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-formamido-3-phenyl-propanamide
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| Structure |
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Download2D MOL
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| Formula |
C63H80N11O10PS
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| Canonical SMILES |
C1C(C2=CC=CC=C2N1)CC(C(=O)NC(CCCN=C(N)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)NC(=O)C(COCC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)CCCCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8
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| InChI |
1S/C63H80N11O10PS/c64-62(65)67-36-20-34-57(85(81,83-46-25-10-3-11-26-46)84-47-27-12-4-13-28-47)73-60(78)51(38-45-39-68-49-30-16-15-29-48(45)49)70-61(79)52(41-82-40-44-23-8-2-9-24-44)71-59(77)50(37-43-21-6-1-7-22-43)69-56(76)33-14-5-19-35-66-55(75)32-18-17-31-54-58-53(42-86-54)72-63(80)74-58/h1-4,6-13,15-16,21-30,45,50-54,57-58,68H,5,14,17-20,31-42H2,(H,66,75)(H,69,76)(H,70,79)(H,71,77)(H,73,78)(H4,64,65,67)(H2,72,74,80)/t45-,50-,51+,52+,53+,54-,57-,58+/m1/s1
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| InChIKey |
BHJHSDZSFPCDTE-XEYVNQCGSA-N
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| PubChem Compound ID | ||||
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