(2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(4-sulfobutylamino)propanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(4-sulfobutylamino)propanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(4-sulfobutylamino)propanoyl]amino]propanoic acid CAS Name: (2R)-2-[[(2R)-1-oxo-3-phenyl-2-(4-sulfobutylamino)propyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(4-sulfobutylamino)propanoyl]amino]propanoic acid Traditional Name: (2R)-3-phenyl-2-[[(2R)-3-phenyl-2-(4-sulfobutylamino)propanoyl]amino]propionic acid Formula: C22H28N2O6S MolecularWeight: 448.53252

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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)NCCCCS(=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)NCCCCS(=O)(=O)O

InChI

InChI=1S/C22H28N2O6S/c25-21(24-20(22(26)27)16-18-11-5-2-6-12-18)19(15-17-9-3-1-4-10-17)23-13-7-8-14-31(28,29)30/h1-6,9-12,19-20,23H,7-8,13-16H2,(H,24,25)(H,26,27)(H,28,29,30)/t19-,20-/m1/s1