Nostocyclamide M
(4S,18R)-4,7-dimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Also Known As: Nostocyclamide M|Tenuecyclamide C|J1.590.988I|(4S,18R)-4,7-dimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione|(11R,18S)-11-[2-(Methylthio)ethyl]-18,21-dimethyl-8,5:15,12-dinitrilo-3,10,17,22-tetraaza-6,13-dithia-20-oxabicyclo[17.2.1]docosa-1(21),7,14,19(22)-tetraene-2,9,16-trione|(11R,18S)-11-[2-(Methylthio)ethyl]-18,21-dimethyl-8,5:15,12-dinitrilo-3,10,17,22-tetraaza-6,13-dithia-20-oxabicyclo[17.2.1]docosa-1(21),7,14,19(22)-tetrene-2,9,16-trione|(4S,18R)-4,7-dimethyl-18-(2-methylsulanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione|(4S,18R)-4,7-dimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo(17.2.1.15,8.112,15)tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione|(4S,18R)-4,7-dimethyl-18-[2-(methylsulfanyl)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione|(4S,18R)-4,7-Dimethyl-18-[2-(methylthio)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione|(4S,18R)-4,7-Dimethyl-18-[2-(methylthio)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexene-2,9,16-trione|6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,7-dimethyl-18-[2-(methylthio)ethyl]-, (4S,18R)-|rel-(4R,18S)-4,7-dimethyl-18-[2-(methylthio)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
| Molecular Formula | C20H22N6O4S3 |
|---|---|
| Molecular Weight | 506.08646 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 506.08646 |
| Monoisotopic Mass | 506.08646 |
| Heavy Atoms | 33 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 355012-87-2 |
|---|---|
| SMILES | C[C@H]1C2=NC(=C(O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)CCSC |
| InChIKey | DMFUPHMBLSJHNR-GXSJLCMTSA-N |
Product Overview
Nostocyclamide M (CAS 355012-87-2), with molecular formula C20H22N6O4S3 and molecular weight 506.08646 g/mol. IUPAC: (4S,18R)-4,7-dimethyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione.