Ligand Information
Ligand General Information | Top | |||
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Ligand ID |
L8MZI2
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Ligand Name |
Ritonavir metabolite M1
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Synonyms |
176655-55-3; Ritonavir Metabolite; Ritonavir metabolite M1; Desthiazolylmethyloxycarbonyl Ritonavir; UNII-34F916N28Z; Ritonavir metabolite Desthiazolylmethyloxycarbonyl Ritonavir; A-98498; (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide; 34F916N28Z; (2S)-N-((1S,3S,4S)-4-Amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)-2-(((2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl)amino)-3-methyl-butanamide; Butanamide, N-((1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-(((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)amino)-, (2S)-; Butanamide, N-(4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-(((methyl((2-(1-methylethyl)-4-thiazolyl)methyl)amino)carbonyl)amino)-, (1S-(1R*(R*),3R*,4R*))-; N-[(2s,4s,5s)-5-Amino-4-Hydroxy-1,6-Diphenylhexan-2-Yl]-N~2~-(Methyl{[2-(Propan-2-Yl)-1,3-Thiazol-4-Yl]methyl}carbamoyl)-L-Valinamide; RitonavirMetabolite; CHEMBL3544848; SCHEMBL13749205; DTXSID00466763; HY-G0009; ZINC72131153; AKOS030241613; CS-4111; F85155; A924831; Q27256367; D0R
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Structure |
Download2D MOL
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Formula |
C32H45N5O3S
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Canonical SMILES |
CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)N)O
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InChI |
1S/C32H45N5O3S/c1-21(2)29(36-32(40)37(5)19-26-20-41-31(35-26)22(3)4)30(39)34-25(16-23-12-8-6-9-13-23)18-28(38)27(33)17-24-14-10-7-11-15-24/h6-15,20-22,25,27-29,38H,16-19,33H2,1-5H3,(H,34,39)(H,36,40)/t25-,27-,28-,29-/m0/s1
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InChIKey |
IQKWCORIMSRQGZ-AMEOFWRWSA-N
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PubChem Compound ID |
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