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

Systemtic Name: 4-cyclohexyl-3-[[4-methyl-2-[[2-(3-oxidanylidene-1H-isoindol-2-yl)-3-phenyl-propanoyl]amino]pentanoyl]amino]-2-oxidanyl-butanoate Openeye Name: 4-cyclohexyl-2-hydroxy-3-[[4-methyl-2-[[2-(1-oxoisoindolin-2-yl)-3-phenyl-propanoyl]amino]pentanoyl]amino]butanoate CAS Name: 4-cyclohexyl-2-hydroxy-3-[[4-methyl-1-oxo-2-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropyl]amino]pentyl]amino]butanoate IUPAC Name: 4-cyclohexyl-2-hydroxy-3-[[4-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]pentanoyl]amino]butanoate Traditional Name: 4-cyclohexyl-2-hydroxy-3-[[2-[[2-(1-ketoisoindolin-2-yl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]butyrate Formula: C33H42N3O6- MolecularWeight: 576.70308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1CCCCC1)C(C(=O)[O-])O)NC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1CCCCC1)C(C(=O)[O-])O)NC(=O)C(CC2=CC=CC=C2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C33H43N3O6/c1-21(2)17-27(30(38)34-26(29(37)33(41)42)18-22-11-5-3-6-12-22)35-31(39)28(19-23-13-7-4-8-14-23)36-20-24-15-9-10-16-25(24)32(36)40/h4,7-10,13-16,21-22,26-29,37H,3,5-6,11-12,17-20H2,1-2H3,(H,34,38)(H,35,39)(H,41,42)/p-1