(2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(3-sulfopropylamino)propanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(3-sulfopropylamino)propanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(3-sulfopropylamino)propanoyl]amino]propanoic acid CAS Name: (2R)-2-[[(2R)-1-oxo-3-phenyl-2-(3-sulfopropylamino)propyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(3-sulfopropylamino)propanoyl]amino]propanoic acid Traditional Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(3-sulfopropylamino)propanoyl]amino]propionic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O)NCCCS(=O)(=O)O

InChI

InChI=1S/C21H26N2O6S/c24-20(23-19(21(25)26)15-17-10-5-2-6-11-17)18(14-16-8-3-1-4-9-16)22-12-7-13-30(27,28)29/h1-6,8-11,18-19,22H,7,12-15H2,(H,23,24)(H,25,26)(H,27,28,29)/t18-,19-/m1/s1