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EVODEX.1-R5568

Full Hydrogen-Mapped Reaction

SMIRKS

Reaction Rendering

[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57].[H][N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52]

Source Database Data

Rxn Index Original Reaction Text Natural Organism Protein Refs Protein DB EC Number
238717 L-Val-Pro-7-amido-4-carbamoylmethylcoumarin + H2O = L-Val + Pro-7-amido-4-carbamoylmethylcoumarin False Plasmodium falciparum nan 3.4.11.9

Derived Partial Reactions

EVODEX.1-P4760

[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57].[H][N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52]

[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57].[H][N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52]

EVODEX.1-P4761

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:6]([C@:4]([C:2]([C:1]([H:55])([H:56])[H:57])([C:3]([H:32])([H:33])[H:34])[H:54])([N:5]([H:35])[H:36])[H:53])=[O:7])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57]

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:6]([C@:4]([C:2]([C:1]([H:55])([H:56])[H:57])([C:3]([H:32])([H:33])[H:34])[H:54])([N:5]([H:35])[H:36])[H:53])=[O:7])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57]

EVODEX.1-P4762

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:6]([C@:4]([C:2]([C:1]([H:55])([H:56])[H:57])([C:3]([H:32])([H:33])[H:34])[H:54])([N:5]([H:35])[H:36])[H:53])=[O:7])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:6]([C@:4]([C:2]([C:1]([H:55])([H:56])[H:57])([C:3]([H:32])([H:33])[H:34])[H:54])([N:5]([H:35])[H:36])[H:53])=[O:7]

[H]C1:C(N([H])C(=O)[C@@]2([H])N([C:6]([C@:4]([C:2]([C:1]([H:55])([H:56])[H:57])([C:3]([H:32])([H:33])[H:34])[H:54])([N:5]([H:35])[H:36])[H:53])=[O:7])C([H])([H])C([H])([H])C2([H])[H]):C([H]):C2:O:C(=O):C([H]):C(C([H])([H])C(=O)N([H])[H]):C:2:C:1[H]>>[H]O[C:6]([C@:4]([C:2]([C:1]([H:55])([H:56])[H:57])([C:3]([H:32])([H:33])[H:34])[H:54])([N:5]([H:35])[H:36])[H:53])=[O:7]