sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: sodium (2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-3-(4-hydroxyphenyl)propanoate IUPAC Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-hydroxyphenyl)propionate Formula: C25H23N2NaO5 MolecularWeight: 454.45029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)[O-])NC(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H24N2O5.Na/c28-20-13-11-18(12-14-20)16-22(25(31)32)27-24(30)21(15-17-7-3-1-4-8-17)26-23(29)19-9-5-2-6-10-19;/h1-14,21-22,28H,15-16H2,(H,26,29)(H,27,30)(H,31,32);/q;+1/p-1/t21-,22-;/m0./s1