N-[2-[[(2R)-2-oxidanyl-2-(2-oxidanylidene-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-N-phenethyl-3-phenethyloxy-propanamide

Systemtic Name: N-[2-[[(2R)-2-oxidanyl-2-(2-oxidanylidene-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-N-phenethyl-3-phenethyloxy-propanamide Openeye Name: N-[2-[[(2R)-2-(4-benzyloxy-2-oxo-3H-1,3-benzothiazol-7-yl)-2-hydroxy-ethyl]amino]ethyl]-N-phenethyl-3-phenethyloxy-propanamide CAS Name: N-[2-[[(2R)-2-hydroxy-2-(2-oxo-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-N-phenethyl-3-phenethyloxypropanamide IUPAC Name: N-[2-[[(2R)-2-hydroxy-2-(2-oxo-4-phenylmethoxy-3H-1,3-benzothiazol-7-yl)ethyl]amino]ethyl]-N-phenethyl-3-phenethyloxypropanamide Traditional Name: N-[2-[[(2R)-2-(4-benzoxy-2-keto-3H-1,3-benzothiazol-7-yl)-2-hydroxy-ethyl]amino]ethyl]-N-phenethyl-3-phenethyloxy-propionamide Formula: C37H41N3O5S MolecularWeight: 639.80354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCNCC(C2=C3C(=C(C=C2)OCC4=CC=CC=C4)NC(=O)S3)O)C(=O)CCOCCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCNC[C@@H](C2=C3C(=C(C=C2)OCC4=CC=CC=C4)NC(=O)S3)O)C(=O)CCOCCC5=CC=CC=C5

InChI

InChI=1S/C37H41N3O5S/c41-32(31-16-17-33(35-36(31)46-37(43)39-35)45-27-30-14-8-3-9-15-30)26-38-21-23-40(22-18-28-10-4-1-5-11-28)34(42)20-25-44-24-19-29-12-6-2-7-13-29/h1-17,32,38,41H,18-27H2,(H,39,43)/t32-/m0/s1