Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGY4B0
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| Ligand Name |
(3S)-3-[({(2S)-5-[(N-Acetyl-L-alpha-aspartyl)amino]-4-oxo-1,2,4,5,6,7-hexahydroazepino[3,2,1-HI]indol-2-YL}carbonyl)amino]-5-(benzylsulfanyl)-4-oxopentanoic acid
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| Synonyms |
(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID; BDBM10654; 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR; Q27453714; (3S)-5-(benzylsulfanyl)-3-{[(2S,11S)-11-[(3S)-3-acetamido-3-formamidopropanoic acid]-12-oxo-1-azatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-yl]formamido}-4-oxopentanoic acid
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| Structure |
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Download2D MOL
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| Formula |
C31H34N4O9S
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| Canonical SMILES |
CC(=O)NC(CC(=O)O)C(=O)NC1CCC2=C3C(=CC=C2)CC(N3C1=O)C(=O)NC(CC(=O)O)C(=O)CSCC4=CC=CC=C4
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| InChI |
1S/C31H34N4O9S/c1-17(36)32-23(14-27(40)41)29(42)33-21-11-10-19-8-5-9-20-12-24(35(28(19)20)31(21)44)30(43)34-22(13-26(38)39)25(37)16-45-15-18-6-3-2-4-7-18/h2-9,21-24H,10-16H2,1H3,(H,32,36)(H,33,42)(H,34,43)(H,38,39)(H,40,41)/t21-,22-,23-,24-/m0/s1
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| InChIKey |
PEECWFLPGAWBQR-ZJZGAYNASA-N
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| PubChem Compound ID | ||||
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