2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-pyrrolidine-1-sulfonic acid

Systemtic Name: 2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-methanoyl-pyrrolidine-1-sulfonic acid Openeye Name: 2-[2-[(2-amino-3-phenyl-propanoyl)amino]-3-phenyl-propanoyl]-2-formyl-pyrrolidine-1-sulfonic acid CAS Name: 2-[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxo-3-phenylpropyl]-2-formyl-1-pyrrolidinesulfonic acid IUPAC Name: 2-[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]-2-formylpyrrolidine-1-sulfonic acid Traditional Name: 2-formyl-2-[3-phenyl-2-(phenylalanylamino)propanoyl]pyrrolidine-1-sulfonic acid Formula: C23H27N3O6S MolecularWeight: 473.54198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)O)(C=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)O)(C=O)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C23H27N3O6S/c24-19(14-17-8-3-1-4-9-17)22(29)25-20(15-18-10-5-2-6-11-18)21(28)23(16-27)12-7-13-26(23)33(30,31)32/h1-6,8-11,16,19-20H,7,12-15,24H2,(H,25,29)(H,30,31,32)