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

Systemtic Name: methyl (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]hept-2-enoate Openeye Name: methyl (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoate CAS Name: (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-heptenoic acid methyl ester IUPAC Name: methyl (E)-6-methyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]hept-2-enoate Traditional Name: (E)-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-6-methyl-hept-2-enoic acid methyl ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-13,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+