2-[[4-methyl-2-(3-methylbut-2-enylamino)pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[4-methyl-2-(3-methylbut-2-enylamino)pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[[4-methyl-2-(3-methylbut-2-enylamino)pentanoyl]amino]propanoic acid CAS Name: 2-[[4-methyl-2-(3-methylbut-2-enylamino)-1-oxopentyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[4-methyl-2-(3-methylbut-2-enylamino)pentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[[4-methyl-2-(3-methylbut-2-enylamino)pentanoyl]amino]propionic acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC=C(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)NCC=C(C)C

InChI

InChI=1S/C27H36N2O4/c1-19(2)14-15-28-24(16-20(3)4)26(30)29-25(27(31)32)17-21-10-12-23(13-11-21)33-18-22-8-6-5-7-9-22/h5-14,20,24-25,28H,15-18H2,1-4H3,(H,29,30)(H,31,32)