[1-[2-[[3-(3,4-dimethoxyphenyl)-2-[(3-phenylphenyl)amino]propanoyl]amino]propanoylamino]-3-methyl-butyl]boronic acid

Systemtic Name: [1-[2-[[3-(3,4-dimethoxyphenyl)-2-[(3-phenylphenyl)amino]propanoyl]amino]propanoylamino]-3-methyl-butyl]boronic acid Openeye Name: [1-[2-[[3-(3,4-dimethoxyphenyl)-2-(3-phenylanilino)propanoyl]amino]propanoylamino]-3-methyl-butyl]boronic acid CAS Name: [1-[[2-[[3-(3,4-dimethoxyphenyl)-1-oxo-2-(3-phenylanilino)propyl]amino]-1-oxopropyl]amino]-3-methylbutyl]boronic acid IUPAC Name: [1-[2-[[3-(3,4-dimethoxyphenyl)-2-(3-phenylanilino)propanoyl]amino]propanoylamino]-3-methylbutyl]boronic acid Traditional Name: [1-[2-[[3-(3,4-dimethoxyphenyl)-2-(3-phenylanilino)propanoyl]amino]propanoylamino]-3-methyl-butyl]boronic acid Formula: C31H40BN3O6 MolecularWeight: 561.4768

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Descriptors Computed from Structure

Canonical SMILES:

B(C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC(=C(C=C1)OC)OC)NC2=CC=CC(=C2)C3=CC=CC=C3)(O)O

Isomeric SMILES

B(C(CC(C)C)NC(=O)C(C)NC(=O)C(CC1=CC(=C(C=C1)OC)OC)NC2=CC=CC(=C2)C3=CC=CC=C3)(O)O

InChI

InChI=1S/C31H40BN3O6/c1-20(2)16-29(32(38)39)35-30(36)21(3)33-31(37)26(17-22-14-15-27(40-4)28(18-22)41-5)34-25-13-9-12-24(19-25)23-10-7-6-8-11-23/h6-15,18-21,26,29,34,38-39H,16-17H2,1-5H3,(H,33,37)(H,35,36)