3-(2-azanyl-4-prop-2-enoxycarbonyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-azanyl-4-prop-2-enoxycarbonyl-phenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(4-allyloxycarbonyl-2-amino-phenyl)sulfanyl-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[[2-amino-4-[oxo(prop-2-enoxy)methyl]phenyl]thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-amino-4-prop-2-enoxycarbonylphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[(4-allyloxycarbonyl-2-amino-phenyl)thio]-2-(tert-butoxycarbonylamino)propionic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)C(=O)OCC=C)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)C(=O)OCC=C)N)C(=O)O

InChI

InChI=1S/C18H24N2O6S/c1-5-8-25-16(23)11-6-7-14(12(19)9-11)27-10-13(15(21)22)20-17(24)26-18(2,3)4/h5-7,9,13H,1,8,10,19H2,2-4H3,(H,20,24)(H,21,22)