(E)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]hept-4-enoic acid

Systemtic Name: (E)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]hept-4-enoic acid Openeye Name: (E)-7-[(1-benzyl-2-hydroxy-ethyl)amino]-6-(tert-butoxycarbonylamino)-7-oxo-hept-4-enoic acid CAS Name: (E)-7-[(1-hydroxy-3-phenylpropan-2-yl)amino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-4-heptenoic acid IUPAC Name: (E)-7-[(1-hydroxy-3-phenylpropan-2-yl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxohept-4-enoic acid Traditional Name: (E)-7-[(1-benzyl-2-hydroxy-ethyl)amino]-6-(tert-butoxycarbonylamino)-7-keto-hept-4-enoic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6/c1-21(2,3)29-20(28)23-17(11-7-8-12-18(25)26)19(27)22-16(14-24)13-15-9-5-4-6-10-15/h4-7,9-11,16-17,24H,8,12-14H2,1-3H3,(H,22,27)(H,23,28)(H,25,26)/b11-7+