N-[(2R)-1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-[methylsulfonyl(phenyl)amino]butanamide

Systemtic Name: N-[(2R)-1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-[methylsulfonyl(phenyl)amino]butanamide Openeye Name: N-[(1R)-2-(3-aminopropylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-4-(N-methylsulfonylanilino)butanamide CAS Name: N-[(2R)-1-(3-aminopropylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-4-(N-methylsulfonylanilino)butanamide IUPAC Name: N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-(N-methylsulfonylanilino)butanamide Traditional Name: N-[(1R)-2-(3-aminopropylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-4-(N-mesylanilino)butyramide Formula: C27H34N4O4S MolecularWeight: 510.64826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCN)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)N[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)NCCCN)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O4S/c1-36(34,35)31(24-11-3-2-4-12-24)18-7-13-26(32)30-25(27(33)29-17-8-16-28)20-21-14-15-22-9-5-6-10-23(22)19-21/h2-6,9-12,14-15,19,25H,7-8,13,16-18,20,28H2,1H3,(H,29,33)(H,30,32)/t25-/m1/s1