3-methyl-2-[[6-methyl-3-oxidanyl-4-[[2-oxidanyl-2-(3-phenoxyphenyl)ethanoyl]amino]heptanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[6-methyl-3-oxidanyl-4-[[2-oxidanyl-2-(3-phenoxyphenyl)ethanoyl]amino]heptanoyl]amino]butanoic acid Openeye Name: 2-[[3-hydroxy-4-[[2-hydroxy-2-(3-phenoxyphenyl)acetyl]amino]-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-hydroxy-4-[[2-hydroxy-1-oxo-2-(3-phenoxyphenyl)ethyl]amino]-6-methyl-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-hydroxy-4-[[2-hydroxy-2-(3-phenoxyphenyl)acetyl]amino]-6-methylheptanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-hydroxy-4-[[2-hydroxy-2-(3-phenoxyphenyl)acetyl]amino]-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C27H36N2O7 MolecularWeight: 500.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC(=CC=C1)OC2=CC=CC=C2)O

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC(=CC=C1)OC2=CC=CC=C2)O

InChI

InChI=1S/C27H36N2O7/c1-16(2)13-21(22(30)15-23(31)29-24(17(3)4)27(34)35)28-26(33)25(32)18-9-8-12-20(14-18)36-19-10-6-5-7-11-19/h5-12,14,16-17,21-22,24-25,30,32H,13,15H2,1-4H3,(H,28,33)(H,29,31)(H,34,35)