N-[(2S)-1-[5-(3-azanylpropylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[5-(3-azanylpropylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[5-(3-aminopropylamino)pentylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[5-(3-aminopropylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[5-(3-aminopropylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[5-(3-aminopropylamino)pentylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C21H36N4O3 MolecularWeight: 392.53554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4O3/c1-2-7-20(27)25-19(16-17-8-10-18(26)11-9-17)21(28)24-15-5-3-4-13-23-14-6-12-22/h8-11,19,23,26H,2-7,12-16,22H2,1H3,(H,24,28)(H,25,27)/t19-/m0/s1