N-[(2S)-1-[12-(3-azanylpropanoylamino)dodecylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[12-(3-azanylpropanoylamino)dodecylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[12-(3-aminopropanoylamino)dodecylamino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[12-[(3-amino-1-oxopropyl)amino]dodecylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[12-(3-aminopropanoylamino)dodecylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[12-(3-aminopropanoylamino)dodecylamino]-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C28H48N4O4 MolecularWeight: 504.70512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCCCCCCCNC(=O)CCN

Isomeric SMILES

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

InChI

InChI=1S/C28H48N4O4/c1-2-13-27(35)32-25(22-23-14-16-24(33)17-15-23)28(36)31-21-12-10-8-6-4-3-5-7-9-11-20-30-26(34)18-19-29/h14-17,25,33H,2-13,18-22,29H2,1H3,(H,30,34)(H,31,36)(H,32,35)/t25-/m0/s1