(E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-enoic acid

Systemtic Name: (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-enoic acid Openeye Name: (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoic acid CAS Name: (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptenoic acid IUPAC Name: (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hept-2-enoic acid Traditional Name: (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoic acid Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5/c1-15(2)13-17(11-12-19(25)26)23-20(27)18(14-16-9-7-6-8-10-16)24-21(28)29-22(3,4)5/h6-12,15,17-18H,13-14H2,1-5H3,(H,23,27)(H,24,28)(H,25,26)/b12-11+