2-[[2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Openeye Name: 2-[[2-[2-[2-[(2-amino-3-phenyl-propanoyl)amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid CAS Name: 2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid Traditional Name: 2-[[3-(4-hydroxyphenyl)-2-[2-[2-(phenylalanylamino)propanoylamino]propanoylamino]propanoyl]amino]propionic acid Formula: C27H35N5O7 MolecularWeight: 541.5961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N5O7/c1-15(30-25(36)21(28)13-18-7-5-4-6-8-18)23(34)29-16(2)24(35)32-22(26(37)31-17(3)27(38)39)14-19-9-11-20(33)12-10-19/h4-12,15-17,21-22,33H,13-14,28H2,1-3H3,(H,29,34)(H,30,36)(H,31,37)(H,32,35)(H,38,39)