3-[[3-methyl-1-oxidanylidene-1-(phenethylamino)butan-2-yl]amino]-3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid

Systemtic Name: 3-[[3-methyl-1-oxidanylidene-1-(phenethylamino)butan-2-yl]amino]-3-oxidanylidene-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid Openeye Name: 2-[(4-benzyloxyphenyl)methyl]-3-[[2-methyl-1-(phenethylcarbamoyl)propyl]amino]-3-oxo-propanoic acid CAS Name: 3-[[3-methyl-1-oxo-1-(phenethylamino)butan-2-yl]amino]-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid IUPAC Name: 3-[[3-methyl-1-oxo-1-(phenethylamino)butan-2-yl]amino]-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid Traditional Name: 2-(4-benzoxybenzyl)-3-keto-3-[[2-methyl-1-(phenethylcarbamoyl)propyl]amino]propionic acid Formula: C30H34N2O5 MolecularWeight: 502.60136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C30H34N2O5/c1-21(2)27(29(34)31-18-17-22-9-5-3-6-10-22)32-28(33)26(30(35)36)19-23-13-15-25(16-14-23)37-20-24-11-7-4-8-12-24/h3-16,21,26-27H,17-20H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)