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

Systemtic Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-butoxyphenyl)propanoate Openeye Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-butoxyphenyl)propanoate CAS Name: sodium (2S)-2-[[(2S)-2-benzamido-1-oxo-3-phenylpropyl]amino]-3-(4-butoxyphenyl)propanoate IUPAC Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]-3-(4-butoxyphenyl)propanoate Traditional Name: sodium (2S)-2-[[(2S)-2-benzamido-3-phenyl-propanoyl]amino]-3-(4-butoxyphenyl)propionate Formula: C29H31N2NaO5 MolecularWeight: 510.55661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCOC1=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/C29H32N2O5.Na/c1-2-3-18-36-24-16-14-22(15-17-24)20-26(29(34)35)31-28(33)25(19-21-10-6-4-7-11-21)30-27(32)23-12-8-5-9-13-23;/h4-17,25-26H,2-3,18-20H2,1H3,(H,30,32)(H,31,33)(H,34,35);/q;+1/p-1/t25-,26-;/m0./s1