2-[3-(aminomethyl)phenyl]-3-[[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-[3-(aminomethyl)phenyl]-3-[[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propanoic acid CAS Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propanoic acid IUPAC Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propanoic acid Traditional Name: 2-[3-(aminomethyl)phenyl]-3-[hydroxy-[2-methyl-1-(4-phenylbutylsulfonylamino)propyl]phosphoryl]propionic acid Formula: C24H35N2O6PS MolecularWeight: 510.583261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NS(=O)(=O)CCCCC1=CC=CC=C1)P(=O)(CC(C2=CC=CC(=C2)CN)C(=O)O)O

Isomeric SMILES

CC(C)C(NS(=O)(=O)CCCCC1=CC=CC=C1)P(=O)(CC(C2=CC=CC(=C2)CN)C(=O)O)O

InChI

InChI=1S/C24H35N2O6PS/c1-18(2)23(26-34(31,32)14-7-6-11-19-9-4-3-5-10-19)33(29,30)17-22(24(27)28)21-13-8-12-20(15-21)16-25/h3-5,8-10,12-13,15,18,22-23,26H,6-7,11,14,16-17,25H2,1-2H3,(H,27,28)(H,29,30)