methyl (Z,8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-9-(phenylmethylsulfanyl)non-6-enoate

Systemtic Name: methyl (Z,8R)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-9-(phenylmethylsulfanyl)non-6-enoate Openeye Name: methyl (Z,8R)-9-benzylsulfanyl-8-(tert-butoxycarbonylamino)non-6-enoate CAS Name: (Z,8R)-8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-(phenylmethylthio)-6-nonenoic acid methyl ester IUPAC Name: methyl (Z,8R)-9-benzylsulfanyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]non-6-enoate Traditional Name: (Z,8R)-9-(benzylthio)-8-(tert-butoxycarbonylamino)non-6-enoic acid methyl ester Formula: C22H33NO4S MolecularWeight: 407.56672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C=CCCCCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSCC1=CC=CC=C1)/C=C\CCCCC(=O)OC

InChI

InChI=1S/C22H33NO4S/c1-22(2,3)27-21(25)23-19(14-10-5-6-11-15-20(24)26-4)17-28-16-18-12-8-7-9-13-18/h7-10,12-14,19H,5-6,11,15-17H2,1-4H3,(H,23,25)/b14-10-/t19-/m1/s1