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

Systemtic Name: N-[(2S)-1-[3-(6-azanylhexylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[3-(6-aminohexylamino)propylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[3-(6-aminohexylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[3-(6-aminohexylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[3-(6-aminohexylamino)propylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C22H38N4O3 MolecularWeight: 406.56212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N4O3/c1-2-8-21(28)26-20(17-18-9-11-19(27)12-10-18)22(29)25-16-7-15-24-14-6-4-3-5-13-23/h9-12,20,24,27H,2-8,13-17,23H2,1H3,(H,25,29)(H,26,28)/t20-/m0/s1