propan-2-yl 4-cyclohexyl-2-oxidanyl-3-[2-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]hexanoylamino]butanoate

Systemtic Name: propan-2-yl 4-cyclohexyl-2-oxidanyl-3-[2-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]hexanoylamino]butanoate Openeye Name: isopropyl 4-cyclohexyl-2-hydroxy-3-[2-[[2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]hexanoylamino]butanoate CAS Name: 4-cyclohexyl-2-hydroxy-3-[[1-oxo-2-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl]amino]hexyl]amino]butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyclohexyl-2-hydroxy-3-[2-[[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]hexanoylamino]butanoate Traditional Name: 4-cyclohexyl-2-hydroxy-3-[2-[[2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]amino]hexanoylamino]butyric acid isopropyl ester Formula: C36H49N3O6 MolecularWeight: 619.79076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC1CCCCC1)C(C(=O)OC(C)C)O)NC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCCCC(C(=O)NC(CC1CCCCC1)C(C(=O)OC(C)C)O)NC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C36H49N3O6/c1-4-5-20-29(33(41)38-30(21-25-14-8-6-9-15-25)32(40)36(44)45-24(2)3)37-34(42)31(22-26-16-10-7-11-17-26)39-23-27-18-12-13-19-28(27)35(39)43/h7,10-13,16-19,24-25,29-32,40H,4-6,8-9,14-15,20-23H2,1-3H3,(H,37,42)(H,38,41)