N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-12-imidazol-1-yl-dodecanamide

Systemtic Name: N-[(2S)-1-[[(2S)-6-azanyl-1-(2-cyclohexylethylamino)-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-12-imidazol-1-yl-dodecanamide Openeye Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-12-imidazol-1-yl-dodecanamide CAS Name: N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-12-(1-imidazolyl)dodecanamide IUPAC Name: N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-12-imidazol-1-yldodecanamide Traditional Name: N-[(1S)-2-[[(1S)-5-amino-1-(2-cyclohexylethylcarbamoyl)pentyl]amino]-2-keto-1-methylol-ethyl]-12-imidazol-1-yl-lauramide Formula: C32H58N6O4 MolecularWeight: 590.84072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)CCCCCCCCCCCN2C=CN=C2

Isomeric SMILES

C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCCCN2C=CN=C2

InChI

InChI=1S/C32H58N6O4/c33-20-13-12-17-28(31(41)35-21-19-27-15-9-8-10-16-27)37-32(42)29(25-39)36-30(40)18-11-6-4-2-1-3-5-7-14-23-38-24-22-34-26-38/h22,24,26-29,39H,1-21,23,25,33H2,(H,35,41)(H,36,40)(H,37,42)/t28-,29-/m0/s1