N-[(2R)-1-(2-azanylethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide

Systemtic Name: N-[(2R)-1-(2-azanylethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-4-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide Openeye Name: N-[(1R)-2-(2-aminoethylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide CAS Name: N-[(2R)-1-(2-aminoethylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide IUPAC Name: N-[(2R)-1-(2-aminoethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-4-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)butanamide Traditional Name: N-[(1R)-2-(2-aminoethylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-4-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)butyramide Formula: C28H32N4O3S MolecularWeight: 504.64368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CCCC(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCN

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCCC(=O)N[C@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCN

InChI

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