methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoyl]amino]propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-1-oxo-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)propanoyl]amino]propionic acid methyl ester Formula: C26H24N2O6S MolecularWeight: 492.54356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C26H24N2O6S/c1-34-26(31)21(16-18-10-4-2-5-11-18)27-24(29)22(17-19-12-6-3-7-13-19)28-25(30)20-14-8-9-15-23(20)35(28,32)33/h2-15,21-22H,16-17H2,1H3,(H,27,29)/t21-,22-/m0/s1