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

Systemtic Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-methoxyphenyl)propanoate Openeye Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: sodium (2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-3-(4-methoxyphenyl)propanoate IUPAC Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-methoxyphenyl)propionate Formula: C26H25N2NaO5 MolecularWeight: 468.47687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C26H26N2O5.Na/c1-33-21-14-12-19(13-15-21)17-23(26(31)32)28-25(30)22(16-18-8-4-2-5-9-18)27-24(29)20-10-6-3-7-11-20;/h2-15,22-23H,16-17H2,1H3,(H,27,29)(H,28,30)(H,31,32);/q;+1/p-1/t22-,23-;/m0./s1