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

Systemtic Name: 2-[2-[[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenyl-propanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[2-[[3-phenyl-2-[2-(tyrosylamino)propanoylamino]propanoyl]amino]propanoylamino]propionic acid Formula: C33H39N5O8 MolecularWeight: 633.69146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C33H39N5O8/c1-19(35-31(43)26(34)16-22-8-12-24(39)13-9-22)29(41)37-27(17-21-6-4-3-5-7-21)32(44)36-20(2)30(42)38-28(33(45)46)18-23-10-14-25(40)15-11-23/h3-15,19-20,26-28,39-40H,16-18,34H2,1-2H3,(H,35,43)(H,36,44)(H,37,41)(H,38,42)(H,45,46)