Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LM70JD
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| Ligand Name |
N-[(Benzyloxy)carbonyl]-L-Isoleucyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide
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| Synonyms |
CHEMBL444346; N-[(Benzyloxy)carbonyl]-L-Isoleucyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide; BDBM50110152; Q27451054; Cbz-L-Ile-L-Leu-[(3S)-2-Oxo-3-(2,2-difluoroethyl)-betaAla-]-OH; (3S)-3-[[(2S)-2-[[(2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5,5-difluoro-2-oxo-pentanoic acid; (S)-3-[(S)-2-((2S,3S)-2-Benzyloxycarbonylamino-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid; L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-isoleucyl-N1-[(1S)-1-(carboxycarbonyl)-3,3-difluoropropyl]-
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| Structure |
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Download2D MOL
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| Formula |
C25H35F2N3O7
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(F)F)C(=O)C(=O)O)NC(=O)OCC1=CC=CC=C1
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| InChI |
1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1
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| InChIKey |
IXLOEMUNKMDCDV-CAIZAGQASA-N
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| PubChem Compound ID | ||||
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