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

Systemtic Name: 2-[[4-[[2-(2-bromophenyl)-2-oxidanyl-ethanoyl]amino]-6-methyl-3-oxidanyl-heptanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[4-[[2-(2-bromophenyl)-2-hydroxy-acetyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[4-[[2-(2-bromophenyl)-2-hydroxy-1-oxoethyl]amino]-3-hydroxy-6-methyl-1-oxoheptyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-[[2-(2-bromophenyl)-2-hydroxyacetyl]amino]-3-hydroxy-6-methylheptanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-[[2-(2-bromophenyl)-2-hydroxy-acetyl]amino]-3-hydroxy-6-methyl-heptanoyl]amino]-3-methyl-butyric acid Formula: C21H31BrN2O6 MolecularWeight: 487.38464

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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=C1Br)O

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C(C)C)C(=O)O)O)NC(=O)C(C1=CC=CC=C1Br)O

InChI

InChI=1S/C21H31BrN2O6/c1-11(2)9-15(16(25)10-17(26)24-18(12(3)4)21(29)30)23-20(28)19(27)13-7-5-6-8-14(13)22/h5-8,11-12,15-16,18-19,25,27H,9-10H2,1-4H3,(H,23,28)(H,24,26)(H,29,30)