(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoic acid

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(3-methyl-1-oxobutyl)amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-methylbutanoylamino)propanoyl]amino]propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(isovalerylamino)propanoyl]amino]propionic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C23H28N2O6/c1-14(2)11-21(28)24-19(12-15-3-7-17(26)8-4-15)22(29)25-20(23(30)31)13-16-5-9-18(27)10-6-16/h3-10,14,19-20,26-27H,11-13H2,1-2H3,(H,24,28)(H,25,29)(H,30,31)/t19-,20-/m0/s1