N-[(2S)-1-[5-(12-azanyldodecylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[5-(12-azanyldodecylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[5-(12-aminododecylamino)pentylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[5-(12-aminododecylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[5-(12-aminododecylamino)pentylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[5-(12-aminododecylamino)pentylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C30H54N4O3 MolecularWeight: 518.77476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N4O3/c1-2-16-29(36)34-28(25-26-17-19-27(35)20-18-26)30(37)33-24-15-11-14-23-32-22-13-10-8-6-4-3-5-7-9-12-21-31/h17-20,28,32,35H,2-16,21-25,31H2,1H3,(H,33,37)(H,34,36)/t28-/m0/s1