N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(2-naphthylmethyl)-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-keto-1-(2-naphthylmethyl)ethyl]butyramide Formula: C27H43N5O2 MolecularWeight: 469.66262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCNCCCCNCCCN

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCNCCCCNCCCN

InChI

InChI=1S/C27H43N5O2/c1-2-9-26(33)32-25(21-22-12-13-23-10-3-4-11-24(23)20-22)27(34)31-19-8-18-30-16-6-5-15-29-17-7-14-28/h3-4,10-13,20,25,29-30H,2,5-9,14-19,21,28H2,1H3,(H,31,34)(H,32,33)/t25-/m0/s1