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

Systemtic Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid Openeye Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-sulfanyl-propanoyl]amino]propanoyl]amino]propanoic acid CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-mercapto-1-oxo-3-phenylpropyl]amino]-1-oxo-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]propanoyl]amino]propanoic acid Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-mercapto-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]propionic acid Formula: C27H28N2O5S MolecularWeight: 492.58662

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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)C(CC3=CC=CC=C3)S

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)[C@H](CC3=CC=CC=C3)S

InChI

InChI=1S/C27H28N2O5S/c30-21-13-11-20(12-14-21)16-23(27(33)34)29-25(31)22(15-18-7-3-1-4-8-18)28-26(32)24(35)17-19-9-5-2-6-10-19/h1-14,22-24,30,35H,15-17H2,(H,28,32)(H,29,31)(H,33,34)/t22-,23-,24-/m0/s1