SMILES for Chitinase B

57 SMILES Strings for Chitinase B

Compound Name

SMILES String

CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r|

CC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)N2[C@H](O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O |r|

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |r|

BDBM50089844

CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C1(C)C |r,@:43|

BDBM50089845

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089846

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089847

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089848

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50331851

CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@@H]2O1 |r,t:3|

BDBM50089849

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089850

CNC(=O)NC(=N)n1cccn1

BDBM50089851

CNC(=O)NC(=N)NCCN=[N+]=[N-]

BDBM50089852

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089853

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OCc1cn(CCNC(=N)NC(=O)NC)nn1)[C@H](C)[C@@H](O)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089854

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](OC(=O)NCCCCNC(=N)NC(=O)NC)[C@H](C)[C@@H](OCC#C)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089855

[H][C@@]12OC(C)(C)O[C@]([H])([C@H]1C)C(C)(C)[C@@H](CC)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](OCc1cn(CCNC(=N)NC(=O)NC)nn1)[C@](C)(O)C[C@H]2C |r,@@:11|

BDBM50089856

CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@](C)(O)C[C@@H](C)\C(=N/OCc2cn(CCNC(=N)NC(=O)NC)nn2)[C@H](C)[C@@H](O)[C@]1(C)O |r|

BDBM50173286

CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r,w:7.7|

BDBM50089857

[H][C@@]12C[C@@H](O)N([C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CCCC(O)=O)C(=O)N[C@@H](CCCNC(=N)NC(C)=O)C(=O)N3CCC[C@]3([H])C(=O)N1)C2=O |r|

BDBM50257240

CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7|

BDBM50257241

CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7|

BDBM50257242

CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)OCC=C)C(O)=O |r,w:7.7|

BDBM50257243

[H]/N=C(NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC

BDBM50257244

CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7|

BDBM50257245

CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7|

BDBM50257246

CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(O)=O |r,w:7.7|

BDBM50257292

CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(O)=O |r,w:7.7|

BDBM50257293

CNC(=O)NC(N)=NCCC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(O)=O |r,w:7.7|

BDBM50294757

CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(=O)N1CCC(Cc2ccccc2)CC1 |r,w:7.7|

BDBM50294758

CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@H](NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O)C(C)C |r,w:7.7|

BDBM50294759

CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O |r,w:7.7|

BDBM50294760

CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CCSC)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r,w:7.7|

BDBM50294761

CNC(=O)NC(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C([O-])=O)C(O)=O |r,w:7.7|

BDBM50294762

CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(O)=O |r,w:7.7|

BDBM50294763

CNC(=O)NC(N)=NCCC[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)C[C@H](NC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(O)=O)C(=O)N1CCC(Cc2ccccc2)CC1 |r,w:7.7|

BDBM50462584

[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)\NC(=O)NC

BDBM50514508

CC(NC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N)c1ccccc1

BDBM50514507

Cc1cccn2c1nc1n(CC3CCCO3)c(=N)c(cc1c2=O)C(=O)NCc1cccnc1

BDBM50546270

CNC(=O)NC(=N)NCCC[C@H](NC(=O)CN=[N+]=[N-])C(=O)N(Cc1ccccc1)Cc1ccccc1 |r|

BDBM50546271

C#CCO\N=C\c1ccnc2ccccc12

BDBM50587857

COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccc(F)nc1

BDBM50587858

COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC(=O)c1ccccc1

BDBM50587859

COCCCCC(=O)Oc1c(OC)ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc12

BDBM50611484

CNC(=O)NC(=N)NCC(=O)Nc1ccccc1

BDBM50611485

CNC(=O)NC(=N)NCC(=O)Nc1ccccc1F

BDBM50611486

CNC(=O)NC(=N)NCC(=O)Nc1cccc(F)c1

BDBM50611487

CNC(=O)NC(=N)NCC(=O)Nc1ccccc1C(F)(F)F

BDBM50611488

CNC(=O)NC(=N)NCC(=O)Nc1cccc(c1)C(F)(F)F

BDBM50611489

CNC(=O)NC(=N)NCC(=O)Nc1ccccc1OC

BDBM50611490

CCOc1ccc(NC(=O)CNC(=N)NC(=O)NC)cc1

BDBM50611491

CNC(=O)NC(=N)NCC(=O)Nc1cccc(c1)[N+]([O-])=O

BDBM50611492

CNC(=O)NC(=N)NCC(=O)Nc1ccc(cc1)[N+]([O-])=O

BDBM50611494

CNC(=O)NC(=N)NCC(=O)Nc1cccc(c1)C(O)=O

BDBM50611495

CNC(=O)NC(=N)NCC(=O)Nc1ccc(F)cc1C

BDBM50611496

CNC(=O)NC(=N)NCC(=O)Nc1ccccc1C

BDBM50611497

CNC(=O)NC(=N)NCC(=O)Nc1ccccn1

BDBM50611498

CNC(=O)NC(=N)NCc1cn(CCCC(=O)N2CCCCCCCC(=O)OCC2)nn1