N-[2-(4-methoxyphenyl)-4-oxidanylidene-3-(3-oxidanyl-3-phenyl-propyl)azetidin-1-yl]-4-[[2,3,4,5,6-pentakis(oxidanyl)hexylamino]methyl]-5-phenyl-pentanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-4-oxidanylidene-3-(3-oxidanyl-3-phenyl-propyl)azetidin-1-yl]-4-[[2,3,4,5,6-pentakis(oxidanyl)hexylamino]methyl]-5-phenyl-pentanamide Openeye Name: 4-benzyl-N-[3-(3-hydroxy-3-phenyl-propyl)-2-(4-methoxyphenyl)-4-oxo-azetidin-1-yl]-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanamide CAS Name: N-[3-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl]-4-[(2,3,4,5,6-pentahydroxyhexylamino)methyl]-5-phenylpentanamide IUPAC Name: 4-benzyl-N-[3-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanamide Traditional Name: 4-benzyl-N-[3-(3-hydroxy-3-phenyl-propyl)-2-keto-4-(4-methoxyphenyl)azetidin-1-yl]-5-(2,3,4,5,6-pentahydroxyhexylamino)valeramide Formula: C37H49N3O9 MolecularWeight: 679.79966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)CCC(CC3=CC=CC=C3)CNCC(C(C(C(CO)O)O)O)O)CCC(C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)CCC(CC3=CC=CC=C3)CNCC(C(C(C(CO)O)O)O)O)CCC(C4=CC=CC=C4)O

InChI

InChI=1S/C37H49N3O9/c1-49-28-15-13-27(14-16-28)34-29(17-18-30(42)26-10-6-3-7-11-26)37(48)40(34)39-33(45)19-12-25(20-24-8-4-2-5-9-24)21-38-22-31(43)35(46)36(47)32(44)23-41/h2-11,13-16,25,29-32,34-36,38,41-44,46-47H,12,17-23H2,1H3,(H,39,45)