ID1

Imipenem

Created:	2015-11-14
Last modified:	2024-09-27

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11 entries where ID1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	4
Bond Count	39
Aromatic Bond Count	0

2D diagram of ID1

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Chemical Component Summary
Name	Imipenem
Systematic Name (OpenEye OEToolkits)	(2~{R},4~{R})-4-[2-[(~{Z})-azanylmethylideneamino]ethylsulfanyl]-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Formula	C₁₂ H₁₉ N₃ O₄ S
Molecular Weight	301.362
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](O)[CH](C=O)[CH]1C[CH](SCCN=CN)C(=N1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC(C(C=O)C1CC(C(=N1)C(=O)O)SCCN=CN)O
Canonical SMILES	CACTVS	3.385	C[C@@H](O)[C@@H](C=O)[C@H]1C[C@@H](SCCN=CN)C(=N1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@H]([C@@H](C=O)[C@H]1C[C@H](C(=N1)C(=O)O)SCC/N=C\N)O
InChI	InChI	1.03	InChI=1S/C12H19N3O4S/c1-7(17)8(5-16)9-4-10(11(15-9)12(18)19)20-3-2-14-6-13/h5-10,17H,2-4H2,1H3,(H2,13,14)(H,18,19)/t7-,8-,9-,10-/m1/s1
InChIKey	InChI	1.03	NIJGFQHESQFJAG-ZYUZMQFOSA-N

Related Resource References

Resource Name	Reference
PubChem	137349550

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.