The Biofilms Structural Database |
galactoside |
|
---|---|
4CPB |
|
Code
CN8 | |
Name |
(4S)-N-ethyl-4-{[N-methyl-3-(1-{2-[(4-sulfanylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-4-yl)-L-alanyl]amino}-L-prolinamide |
Molecular Weight |
488.61 |
Isomeric SMILES |
CCNC(=O)[C@@H]1C[C@@H](CN1)NC(=O)[C@H](Cc1cn(CCNC(=O)c2ccc(S)cc2)nn1)NC |
Formula |
C22H32N8O3S |
Identifiers |
(2S,4S)-N-ethyl-4-[[(2S)-2-(methylamino)-3-[1-[2-[(4-sulfanylphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]propanoyl]amino]pyrrolidine-2-carboxamide |
Formal Charge |
0 |
InChI |
InChI=1S/C22H32N8O3S/c1-3-24-21(32)19-10-15(12-26-19)27-22(33)18(23-2)11-16-13-30(29-28-16)9-8-25-20(31)14-4-6-17(34)7-5-14/h4-7,13,15,18-19,23,26,34H,3,8-12H2,1-2H3,(H,24,32)(H,25,31)(H,27,33)/t15-,18-,19-/m0/s1 |
Atom Count |
66 |
InChIKey |
VTNMGGUGQYETGZ-SNRMKQJTSA-N |
PDB codes |
4CP9, 4CPB |
Type |
NON-POLYMER |
Chiral Atom Count |
3 |
Chiral Atoms |
C15, C25, C27 |
Bond Count |
68 |
Aromatic Bond Count |
1 |
Leaving Atoms |
n/a |