N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]decanamide

Systemtic Name: N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-propan-2-yl]decanamide Openeye Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-[(4-hydroxy-3,5-diiodo-phenyl)methyl]-2-oxo-ethyl]decanamide CAS Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]decanamide IUPAC Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]decanamide Traditional Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxy-3,5-diiodo-benzyl)-2-keto-ethyl]capramide Formula: C29H51I2N5O3 MolecularWeight: 771.55588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCN

Isomeric SMILES

CCCCCCCCCC(=O)N[C@@H](CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCN

InChI

InChI=1S/C29H51I2N5O3/c1-2-3-4-5-6-7-8-13-27(37)36-26(22-23-20-24(30)28(38)25(31)21-23)29(39)35-19-12-18-34-16-10-9-15-33-17-11-14-32/h20-21,26,33-34,38H,2-19,22,32H2,1H3,(H,35,39)(H,36,37)/t26-/m0/s1