Viewing Compound With Structures

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Compound Report Overview

Compound Name: SULBENICILLIN
Compound Identifier: 701842
Mol Structure 2D: 701842
Molecular Weight: 414
Formula: C16 H18 N2 O7 S2
Development Status: Launched outside US, not listed by FDA
SMILES: CC1(C)SC2C(NC(=O)C(c3ccccc3)S(=O)(=O)O)C(=O)N2C1C(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222412D 0 0.00000 0.00000 0^^ 28 30 0 1 0 999 V2000^ 1.9292 -0.8917 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.9292 0.0958 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.9250 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9250 0.0833 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.8792 -1.1917 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.1625 2.1583 0.0000 S 0 0 3 0 0 0 0 0 0^ 2.8667 0.3958 0.0000 S 0 0 0 0 0 0 0 0 0^ 3.4542 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.7375 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2375 0.8125 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.4458 1.2583 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.2292 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2250 -1.6000 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.1125 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.1375 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.0208 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.3958 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8958 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2417 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5792 -2.9292 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5708 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0458 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7750 1.0708 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^ 11 6 1 1 0 0^ 7 2 1 0 0 0^ 8 5 1 0 0 0^ 9 10 1 0 0 0^ 4 10 1 1 0 0^ 11 9 1 0 0 0^ 5 12 1 6 0 0^ 13 3 2 0 0 0^ 14 6 2 0 0 0^ 15 6 2 0 0 0^ 16 9 2 0 0 0^ 17 11 1 0 0 0^ 18 6 1 0 0 0^ 19 12 2 0 0 0^ 20 12 1 0 0 0^ 21 8 1 0 0 0^ 22 8 1 0 0 0^ 23 17 1 0 0 0^ 24 17 2 0 0 0^ 25 24 1 0 0 0^ 26 23 2 0 0 0^ 27 25 2 0 0 0^ 2 28 1 6 0 0^ 8 7 1 0 0 0^ 4 2 1 0 0 0^ 27 26 1 0 0 0^M END^^
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