2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[2-(tert-butoxycarbonylamino)propanoylamino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[2-(tert-butoxycarbonylamino)propanoylamino]-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O6S/c1-14(23-21(30)31-22(2,3)4)18(26)24-16(11-12-32-5)19(27)25-17(20(28)29)13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,23,30)(H,24,26)(H,25,27)(H,28,29)