LMI

tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate

Created:	2022-11-25
Last modified:	2023-05-31

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1 entries where LMI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	6

2D diagram of LMI

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Chemical Component Summary
Name	tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate
Systematic Name (OpenEye OEToolkits)	~{tert}-butyl ~{N}-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate
Formula	C₁₆ H₂₃ N₃ O₅
Molecular Weight	337.371
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO
Canonical SMILES	CACTVS	3.385	CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)NO
InChI	InChI	1.06	InChI=1S/C16H23N3O5/c1-16(2,3)24-15(22)17-9-8-13(20)18-10-11-4-6-12(7-5-11)14(21)19-23/h4-7,23H,8-10H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKey	InChI	1.06	XZBWQLIYDNHHJF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122143651

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.