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

Systemtic Name: N-[(2S)-1-[5-(5-azanylpentylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[5-(5-aminopentylamino)pentylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[5-(5-aminopentylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[5-(5-aminopentylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[5-(5-aminopentylamino)pentylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C23H40N4O3 MolecularWeight: 420.5887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40N4O3/c1-2-9-22(29)27-21(18-19-10-12-20(28)13-11-19)23(30)26-17-8-4-7-16-25-15-6-3-5-14-24/h10-13,21,25,28H,2-9,14-18,24H2,1H3,(H,26,30)(H,27,29)/t21-/m0/s1