Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6F1JZ
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| Ligand Name |
(2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-[(1s,2r,3r)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1-Phenylethyl]butanediamide
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| Synonyms |
1bil; SCHEMBL7391114; P2-P3 butanediamide renin inhibitor (1); Q27451109; imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide; (2S)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-N~1~-[(1S,2R,3R)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-N~4~-[2-(d imethylamino)-2-oxoethyl]-N~4~-[(1S)-1-phenylethyl]butanediamide; (2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-[(1s,2r,3r)-1-(Cyclohexylmethyl)-2,3-Dihydroxy-5-Methylhexyl]-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1-Phenylethyl]butanediamide; 0IU; N4 -[2-(Dimethylamino)-2-oxoethyl]-N4 -[1(S)-phenylethyl]-N1 -[1(S)-(cyclohexylmethyl)-2(R),3(S)-dihydroxy-5-methylhexyl]-2(R)-[(2-amino-4-thiazolyl)methyl]butanediamide
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| Structure |
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Download2D MOL
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| Formula |
C34H53N5O5S
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| Canonical SMILES |
CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC2=CSC(=N2)N)CC(=O)N(CC(=O)N(C)C)C(C)C3=CC=CC=C3)O)O
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| InChI |
1S/C34H53N5O5S/c1-22(2)16-29(40)32(43)28(17-24-12-8-6-9-13-24)37-33(44)26(18-27-21-45-34(35)36-27)19-30(41)39(20-31(42)38(4)5)23(3)25-14-10-7-11-15-25/h7,10-11,14-15,21-24,26,28-29,32,40,43H,6,8-9,12-13,16-20H2,1-5H3,(H2,35,36)(H,37,44)/t23-,26+,28-,29-,32+/m0/s1
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| InChIKey |
OXJHMLABLLIRCI-MKLHLGAXSA-N
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| PubChem Compound ID | ||||
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