N-[(2S)-1-[8-(6-azanylhexylamino)octylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[8-(6-azanylhexylamino)octylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[8-(6-aminohexylamino)octylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[8-(6-aminohexylamino)octylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[8-(6-aminohexylamino)octylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[8-(6-aminohexylamino)octylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C27H48N4O3 MolecularWeight: 476.69502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N4O3/c1-2-13-26(33)31-25(22-23-14-16-24(32)17-15-23)27(34)30-21-12-7-4-3-6-10-19-29-20-11-8-5-9-18-28/h14-17,25,29,32H,2-13,18-22,28H2,1H3,(H,30,34)(H,31,33)/t25-/m0/s1