N-[(2S)-1-[7-(6-azanylhexylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[7-(6-azanylhexylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[7-(6-aminohexylamino)heptylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[7-(6-aminohexylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[7-(6-aminohexylamino)heptylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[7-(6-aminohexylamino)heptylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C26H46N4O3 MolecularWeight: 462.66844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46N4O3/c1-2-12-25(32)30-24(21-22-13-15-23(31)16-14-22)26(33)29-20-11-6-3-5-9-18-28-19-10-7-4-8-17-27/h13-16,24,28,31H,2-12,17-21,27H2,1H3,(H,29,33)(H,30,32)/t24-/m0/s1