Project Summary 4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Dihedrals Table

Dih.	Atom names	Experimental	Type
1	C.1-C.4-C.5-C.65-4-3-0 C.6-C.5-C.4-C.1	161.211	Rigid
2	C.1-C.4-O.13-C.1211-12-3-0 C.12-C.13-O.4-C.1	-151.891	Flexible
3	O.2-C.1-C.4-C.54-3-0-1 O.5-C.4-C.1-C.2	-169.897	Rigid
4	O.2-C.1-C.4-O.1312-3-0-1 O.13-C.4-C.1-O.2	11.326	Rigid
5	O.3-C.1-C.4-C.54-3-0-2 O.5-C.4-C.1-C.3	2.984	Rigid
6	O.3-C.1-C.4-O.1312-3-0-2 O.13-C.4-C.1-O.3	-175.793	Rigid
7	C.4-C.5-C.6-C.76-5-4-3 C.7-C.6-C.5-C.4	29.873	Flexible Ring
8	C.4-C.5-C.6-N.2120-5-4-3 C.21-C.6-C.5-N.4	152.815	Flexible
9	C.4-O.13-C.12-C.76-11-12-3 C.7-O.12-C.13-C.4	-49.793	Flexible Ring
10	C.4-O.13-C.12-C.1413-11-12-3 C.14-O.12-C.13-C.4	-166.254	Flexible
11	C.5-C.4-O.13-C.1211-12-3-4 C.12-C.13-O.4-C.5	29.289	Flexible Ring
12	C.5-C.6-C.7-N.87-6-5-4 C.8-C.7-C.6-N.5	-170.764	Flexible
13	C.5-C.6-C.7-C.1211-6-5-4 C.12-C.7-C.6-C.5	-47.177	Flexible Ring
14	C.5-C.6-N.21-C.2221-20-5-4 C.22-C.21-N.6-C.5	146.558	Flexible
15	C.6-C.5-C.4-O.1312-3-4-5 C.13-C.4-C.5-O.6	-20.091	Rigid Ring
16	C.6-C.7-N.8-C.98-7-6-5 C.9-C.8-N.7-C.6	-98.165	Flexible
17	C.6-C.7-C.12-O.1312-11-6-5 C.13-C.12-C.7-O.6	60.35	Flexible Ring
18	C.6-C.7-C.12-C.1413-11-6-5 C.14-C.12-C.7-C.6	176.664	Flexible
19	C.6-N.21-C.22-N.2322-21-20-5 C.23-N.22-C.21-N.6	10.578	Flexible
20	C.6-N.21-C.22-N.2423-21-20-5 C.24-N.22-C.21-N.6	-172.954	Flexible
21	C.7-C.6-N.21-C.2221-20-5-6 C.22-C.21-N.6-C.7	-93.284	Flexible
22	C.7-N.8-C.9-O.109-8-7-6 C.10-N.9-C.8-O.7	11.935	Rigid
23	C.7-N.8-C.9-C.1110-8-7-6 C.11-N.9-C.8-C.7	-176.577	Rigid
24	C.7-C.12-C.14-O.1514-13-11-6 C.15-C.14-C.12-O.7	-70.154	Flexible
25	C.7-C.12-C.14-N.1615-13-11-6 C.16-C.14-C.12-N.7	106.409	Flexible
26	N.8-C.7-C.6-N.2120-5-6-7 N.21-C.6-C.7-N.8	69.238	Flexible
27	N.8-C.7-C.12-O.1312-11-6-7 N.13-C.12-C.7-O.8	-177.323	Flexible
28	N.8-C.7-C.12-C.1413-11-6-7 N.14-C.12-C.7-C.8	-61.01	Flexible
29	C.9-N.8-C.7-C.1211-6-7-8 C.12-N.7-C.8-C.9	140.305	Flexible
30	C.12-C.7-C.6-N.2120-5-6-11 C.21-C.6-C.7-N.12	-167.176	Flexible
31	C.12-C.14-N.16-C.1716-15-13-11 C.17-C.16-N.14-C.12	-7.922	Rigid
32	C.12-C.14-N.16-C.1817-15-13-11 C.18-C.16-N.14-C.12	163.1	Rigid
33	O.13-C.12-C.14-O.1514-13-11-12 O.15-C.14-C.12-O.13	49.791	Flexible
34	O.13-C.12-C.14-N.1615-13-11-12 O.16-C.14-C.12-N.13	-133.646	Flexible
35	C.14-N.16-C.18-C.1918-17-15-13 C.19-N.18-C.16-C.14	63.359	Flexible
36	O.15-C.14-N.16-C.1716-15-13-14 O.17-C.16-N.14-C.15	168.574	Rigid
37	O.15-C.14-N.16-C.1817-15-13-14 O.18-C.16-N.14-C.15	-20.404	Rigid
38	N.16-C.18-C.19-C.2019-18-17-15 N.20-C.19-C.18-C.16	28.74	Flexible
39	C.17-N.16-C.18-C.1918-17-15-16 C.19-N.18-C.16-C.17	-124.483	Flexible

Used for dihedral metric

Dihedrals

Dihedrals Histogram

4-acetyl-4-guanidino-6-methyl(propyl)carboxamide-4,5-dihydro-2h-pyran-2-carboxylic acid(G20) Summary