N-[(2R)-1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanamide

Systemtic Name: N-[(2R)-1-(3-azanylpropylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanamide Openeye Name: N-[(1R)-2-(3-aminopropylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide CAS Name: N-[(2R)-1-(3-aminopropylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide IUPAC Name: N-[(2R)-1-(3-aminopropylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide Traditional Name: N-[(1R)-2-(3-aminopropylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-4-(3-keto-1,4-benzothiazin-4-yl)butyramide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCN

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCCC(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCN

InChI

InChI=1S/C28H32N4O3S/c29-14-6-15-30-28(35)23(18-20-12-13-21-7-1-2-8-22(21)17-20)31-26(33)11-5-16-32-24-9-3-4-10-25(24)36-19-27(32)34/h1-4,7-10,12-13,17,23H,5-6,11,14-16,18-19,29H2,(H,30,35)(H,31,33)/t23-/m1/s1