2-[[1-ethoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[1-ethoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-[[2-(tert-butoxycarbonylamino)-3-phenyl-propyl]sulfanylmethyl]-2-ethoxy-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[1-ethoxy-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl]thio]-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[[1-ethoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]sulfanyl-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[[[2-(tert-butoxycarbonylamino)-3-phenyl-propyl]thio]methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C22H34N2O6S MolecularWeight: 454.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)NC(C)C(=O)O

InChI

InChI=1S/C22H34N2O6S/c1-6-29-20(27)18(23-15(2)19(25)26)14-31-13-17(12-16-10-8-7-9-11-16)24-21(28)30-22(3,4)5/h7-11,15,17-18,23H,6,12-14H2,1-5H3,(H,24,28)(H,25,26)