N-[(2S)-1-[6-(6-azanylhexylamino)hexylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[6-(6-azanylhexylamino)hexylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[6-(6-aminohexylamino)hexylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[6-(6-aminohexylamino)hexylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[6-(6-aminohexylamino)hexylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[6-(6-aminohexylamino)hexylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C25H44N4O3 MolecularWeight: 448.64186

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCNCCCCCCN

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCCCNCCCCCCN

InChI

InChI=1S/C25H44N4O3/c1-2-11-24(31)29-23(20-21-12-14-22(30)15-13-21)25(32)28-19-10-6-5-9-18-27-17-8-4-3-7-16-26/h12-15,23,27,30H,2-11,16-20,26H2,1H3,(H,28,32)(H,29,31)/t23-/m0/s1