methyl (Z,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-4-(phenylmethoxycarbonylamino)hept-2-enoate

Systemtic Name: methyl (Z,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]-4-(phenylmethoxycarbonylamino)hept-2-enoate Openeye Name: methyl (Z,4S)-4-(benzyloxycarbonylamino)-7-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]hept-2-enoate CAS Name: (Z,4S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]-4-(phenylmethoxycarbonylamino)-2-heptenoic acid methyl ester IUPAC Name: methyl (Z,4S)-7-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]-4-(phenylmethoxycarbonylamino)hept-2-enoate Traditional Name: (Z,4S)-4-(benzyloxycarbonylamino)-7-[tert-butoxycarbonyl(carbobenzoxy)amino]hept-2-enoic acid methyl ester Formula: C29H36N2O8 MolecularWeight: 540.60474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCC(C=CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC[C@@H](/C=C\C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H36N2O8/c1-29(2,3)39-28(35)31(27(34)38-21-23-14-9-6-10-15-23)19-11-16-24(17-18-25(32)36-4)30-26(33)37-20-22-12-7-5-8-13-22/h5-10,12-15,17-18,24H,11,16,19-21H2,1-4H3,(H,30,33)/b18-17-/t24-/m0/s1