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Compound Report Overview

Compound Name: ASPOXICILLIN
Compound Identifier: 702755
Mol Structure 2D: 702755
Molecular Weight: 494
Formula: C21 H27 N5 O7 S
Development Status: Launched outside US, not listed by FDA
SMILES: CNC(=O)CC(N)C(=O)NC(C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)O)c3ccc(O)cc3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223042D 0 0.00000 0.00000 0^^ 39 41 0 1 0 999 V2000^ 6.3542 -2.6542 0.0000 N 0 0 3 0 0 0 0 0 0^ 6.3542 -1.8667 0.0000 C 0 0 1 0 0 0 0 0 0^ 5.5500 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5500 -1.8667 0.0000 C 0 0 1 0 0 0 0 0 0^ 7.1042 -2.9042 0.0000 C 0 0 2 0 0 0 0 0 0^ 7.1042 -1.6250 0.0000 S 0 0 0 0 0 0 0 0 0^ 7.5792 -2.2417 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.7917 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.1667 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9250 -2.7750 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.2875 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.4917 -2.0125 0.0000 C 0 0 2 0 0 0 0 0 0^ 7.5875 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.5125 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5625 -4.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9250 -4.0042 0.0000 C 0 0 1 0 0 0 0 0 0^ 5.0042 -3.2250 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6167 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.1667 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5667 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.5875 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.0417 -4.1875 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.3792 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0667 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.4125 -5.2042 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.0125 -4.7167 0.0000 N 0 0 0 0 0 0 0 0 0^ 8.4750 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.2167 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.3042 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0792 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6250 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.3292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4500 -2.5375 0.0000 O 0 0 0 0 0 0 0 0 0^ 7.3292 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.3542 -1.0667 0.0000 H 0 0 0 0 0 0 0 0 0^ 5.4167 -1.0875 0.0000 H 0 0 0 0 0 0 0 0 0^ 6.5542 -3.4500 0.0000 H 0 0 0 0 0 0 0 0 0^ 3.0542 -1.3042 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.8417 -3.8792 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 3 1 0 0 0^ 5 1 1 0 0 0^ 6 2 1 0 0 0^ 7 5 1 0 0 0^ 4 8 1 1 0 0^ 9 8 1 0 0 0^ 12 10 1 1 0 0^ 11 10 1 0 0 0^ 12 9 1 0 0 0^ 5 13 1 6 0 0^ 14 16 1 0 0 0^ 15 14 1 0 0 0^ 16 11 1 0 0 0^ 17 3 2 0 0 0^ 18 12 1 0 0 0^ 19 9 2 0 0 0^ 20 11 2 0 0 0^ 21 13 2 0 0 0^ 22 15 2 0 0 0^ 23 18 1 0 0 0^ 24 18 2 0 0 0^ 25 15 1 0 0 0^ 16 26 1 6 0 0^ 27 13 1 0 0 0^ 28 7 1 0 0 0^ 29 7 1 0 0 0^ 30 32 2 0 0 0^ 31 23 2 0 0 0^ 32 24 1 0 0 0^ 33 30 1 0 0 0^ 34 25 1 0 0 0^ 2 35 1 6 0 0^ 4 36 1 6 0 0^ 5 37 1 1 0 0^ 12 38 1 1 0 0^ 16 39 1 6 0 0^ 7 6 1 0 0 0^ 4 2 1 0 0 0^ 30 31 1 0 0 0^M END^^
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