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

Systemtic Name: N-[(2S)-1-(12-azanyldodecylamino)-3-(3-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-(12-aminododecylamino)-1-[(3-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-(12-aminododecylamino)-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-(12-aminododecylamino)-3-(3-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-(12-aminododecylamino)-1-(3-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C25H43N3O3 MolecularWeight: 433.62722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O3/c1-2-14-24(30)28-23(20-21-15-13-16-22(29)19-21)25(31)27-18-12-10-8-6-4-3-5-7-9-11-17-26/h13,15-16,19,23,29H,2-12,14,17-18,20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1