2-[3-(aminomethyl)phenyl]-3-[[1-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]sulfonylamino]-2-methyl-propyl]-oxidanyl-phosphoryl]propanoic acid

Systemtic Name: 2-[3-(aminomethyl)phenyl]-3-[[1-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]sulfonylamino]-2-methyl-propyl]-oxidanyl-phosphoryl]propanoic acid Openeye Name: 2-[3-(aminomethyl)phenyl]-3-[[1-[[4-(2-amino-2-oxo-ethyl)phenyl]sulfonylamino]-2-methyl-propyl]-hydroxy-phosphoryl]propanoic acid CAS Name: 2-[3-(aminomethyl)phenyl]-3-[[1-[[4-(2-amino-2-oxoethyl)phenyl]sulfonylamino]-2-methylpropyl]-hydroxyphosphoryl]propanoic acid IUPAC Name: 2-[3-(aminomethyl)phenyl]-3-[[1-[[4-(2-amino-2-oxoethyl)phenyl]sulfonylamino]-2-methylpropyl]-hydroxyphosphoryl]propanoic acid Traditional Name: 3-[[1-[[4-(2-amino-2-keto-ethyl)phenyl]sulfonylamino]-2-methyl-propyl]-hydroxy-phosphoryl]-2-[3-(aminomethyl)phenyl]propionic acid Formula: C22H30N3O7PS MolecularWeight: 511.528261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N3O7PS/c1-14(2)21(25-34(31,32)18-8-6-15(7-9-18)11-20(24)26)33(29,30)13-19(22(27)28)17-5-3-4-16(10-17)12-23/h3-10,14,19,21,25H,11-13,23H2,1-2H3,(H2,24,26)(H,27,28)(H,29,30)