Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD40EU
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| Ligand Name |
(3s,6s,7r,9as)-7-[2-(Benzylamino)ethyl]-N-(Diphenylmethyl)-6-{[(2s)-2-(Methylamino)butanoyl]amino}-5-Oxooctahydro-1h-Pyrrolo[1,2-A]azepine-3-Carboxamide
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| Synonyms |
CHEMBL575256; (3s,6s,7r,9as)-7-[2-(Benzylamino)ethyl]-N-(Diphenylmethyl)-6-{[(2s)-2-(Methylamino)butanoyl]amino}-5-Oxooctahydro-1h-Pyrrolo[1,2-A]azepine-3-Carboxamide; SCHEMBL13124464; BDBM50365841; Q27458461; (3S,9aalpha)-N-Benzhydryl-5-oxo-6beta-[[(2S)-2-(methylamino)butanoyl]amino]-7beta-[2-(benzylamino)ethyl]octahydro-1H-pyrrolo[1,2-a]azepine-3beta-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C37H47N5O3
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| Canonical SMILES |
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)CCNCC5=CC=CC=C5)NC
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| InChI |
1S/C37H47N5O3/c1-3-31(38-2)35(43)41-34-29(23-24-39-25-26-13-7-4-8-14-26)19-20-30-21-22-32(42(30)37(34)45)36(44)40-33(27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-18,29-34,38-39H,3,19-25H2,1-2H3,(H,40,44)(H,41,43)/t29-,30+,31+,32+,34+/m1/s1
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| InChIKey |
NVNDSZWHCFDEAR-UCDLYESDSA-N
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| PubChem Compound ID | ||||
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