sodium 3-[2-(2-azanyl-3-phenyl-propanoyl)-4-oxidanyl-phenyl]-2-[(4-methoxyphenyl)carbonylamino]propanoic acid

Systemtic Name: sodium 3-[2-(2-azanyl-3-phenyl-propanoyl)-4-oxidanyl-phenyl]-2-[(4-methoxyphenyl)carbonylamino]propanoic acid Openeye Name: sodium 3-[2-(2-amino-3-phenyl-propanoyl)-4-hydroxy-phenyl]-2-[(4-methoxybenzoyl)amino]propanoic acid CAS Name: sodium 3-[2-(2-amino-1-oxo-3-phenylpropyl)-4-hydroxyphenyl]-2-[[(4-methoxyphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: sodium 3-[2-(2-amino-3-phenylpropanoyl)-4-hydroxyphenyl]-2-[(4-methoxybenzoyl)amino]propanoic acid Traditional Name: sodium 3-(4-hydroxy-2-phenylalanyl-phenyl)-2-(p-anisoylamino)propionic acid Formula: C26H26N2NaO6+ MolecularWeight: 485.48421

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(CC2=C(C=C(C=C2)O)C(=O)C(CC3=CC=CC=C3)N)C(=O)O.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(CC2=C(C=C(C=C2)O)C(=O)C(CC3=CC=CC=C3)N)C(=O)O.[Na+]

InChI

InChI=1S/C26H26N2O6.Na/c1-34-20-11-8-17(9-12-20)25(31)28-23(26(32)33)14-18-7-10-19(29)15-21(18)24(30)22(27)13-16-5-3-2-4-6-16;/h2-12,15,22-23,29H,13-14,27H2,1H3,(H,28,31)(H,32,33);/q;+1