The Biofilms Structural Database
|
|
The Biofilms Structural Database |
BDM44719 |
|
|---|---|
6HO5 |
|
Code
GH8 | |
|
Name |
4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide |
|
Molecular Weight |
468.59 |
|
Isomeric SMILES |
CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5 |
|
Formula |
C30H32N2O3 |
|
Identifiers |
4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C30H32N2O3/c1-21(2)32-16-14-30(15-17-32)19-27(33)26-18-25(12-13-28(26)35-30)23-8-10-24(11-9-23)29(34)31-20-22-6-4-3-5-7-22/h3-13,18,21H,14-17,19-20H2,1-2H3,(H,31,34) |
|
Atom Count |
67 |
|
InChIKey |
ZNZGCTIEADJNIM-UHFFFAOYSA-N |
|
PDB codes |
6HO5 |
|
Type |
NON-POLYMER |
|
Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
|
Bond Count |
71 |
|
Aromatic Bond Count |
18 |
|
Leaving Atoms |
n/a |