4-cyclohexyl-2-oxidanyl-3-[2-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoylamino]butanoic acid

Systemtic Name: 4-cyclohexyl-2-oxidanyl-3-[2-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoylamino]butanoic acid Openeye Name: 4-cyclohexyl-2-hydroxy-3-[2-[[2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]pentanoylamino]butanoic acid CAS Name: 4-cyclohexyl-2-hydroxy-3-[[1-oxo-2-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl]amino]pentyl]amino]butanoic acid IUPAC Name: 4-cyclohexyl-2-hydroxy-3-[2-[[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]pentanoylamino]butanoic acid Traditional Name: 4-cyclohexyl-2-hydroxy-3-[2-[[2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]amino]pentanoylamino]butyric acid Formula: C32H41N3O6 MolecularWeight: 563.68444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41N3O6/c1-2-11-25(29(37)34-26(28(36)32(40)41)18-21-12-5-3-6-13-21)33-30(38)27(19-22-14-7-4-8-15-22)35-20-23-16-9-10-17-24(23)31(35)39/h4,7-10,14-17,21,25-28,36H,2-3,5-6,11-13,18-20H2,1H3,(H,33,38)(H,34,37)(H,40,41)