3-[4-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-[4-[bis(azanyl)methylidenecarbamoyl]-2-methylsulfonyl-phenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-[4-(diaminomethylenecarbamoyl)-2-methylsulfonyl-phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-[(diaminomethylideneamino)-oxomethyl]-2-methylsulfonylphenoxy]phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-[4-(diaminomethylidenecarbamoyl)-2-methylsulfonylphenoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-[4-(diaminomethylenecarbamoyl)-2-mesyl-phenoxy]phenyl]propionic acid Formula: C23H28N4O8S MolecularWeight: 520.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C23H28N4O8S/c1-23(2,3)35-22(31)26-16(20(29)30)11-13-5-8-15(9-6-13)34-17-10-7-14(19(28)27-21(24)25)12-18(17)36(4,32)33/h5-10,12,16H,11H2,1-4H3,(H,26,31)(H,29,30)(H4,24,25,27,28)