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

Systemtic Name: 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-[[3-phenyl-2-(phenylalanylamino)propanoyl]amino]propionic acid Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c28-22(15-18-7-3-1-4-8-18)25(32)29-23(16-19-9-5-2-6-10-19)26(33)30-24(27(34)35)17-20-11-13-21(31)14-12-20/h1-14,22-24,31H,15-17,28H2,(H,29,32)(H,30,33)(H,34,35)