4-[[4-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]sulfinyl]-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[[4-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]sulfinyl]-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-[[4-(4,5-dihydro-1H-imidazol-2-ylhydrazono)-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]sulfinyl]butanoic acid CAS Name: 4-[[4-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]sulfinyl]-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-[[4-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benzo[e]azulen-8-yl]sulfinyl]-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-[[4-(2-imidazolin-2-ylhydrazono)-9,10-dimethoxy-2,3,3a,5,6,10b-hexahydro-1H-benz[e]azulen-8-yl]sulfinyl]butyric acid Formula: C31H39N5O7S MolecularWeight: 625.73566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCC(=NNC3=NCCN3)C4CCCC4C2=C1OC)S(=O)CCC(C(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2CCC(=NNC3=NCCN3)C4CCCC4C2=C1OC)S(=O)CCC(C(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C31H39N5O7S/c1-41-27-25(44(40)16-13-24(29(37)38)34-31(39)43-18-19-7-4-3-5-8-19)17-20-11-12-23(35-36-30-32-14-15-33-30)21-9-6-10-22(21)26(20)28(27)42-2/h3-5,7-8,17,21-22,24H,6,9-16,18H2,1-2H3,(H,34,39)(H,37,38)(H2,32,33,36)