CMY

(6-AMINOHEXYL)CARBAMIC ACID

Created:	2006-05-16
Last modified:	2011-06-04

Find Related PDB Entry
6 entries where CMY is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	0

2D diagram of CMY

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(6-AMINOHEXYL)CARBAMIC ACID
Systematic Name (OpenEye OEToolkits)	6-aminohexylcarbamic acid
Formula	C₇ H₁₆ N₂ O₂
Molecular Weight	160.214
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)NCCCCCCN
SMILES	CACTVS	3.341	NCCCCCCNC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CCCNC(=O)O)CCN
Canonical SMILES	CACTVS	3.341	NCCCCCCNC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCCNC(=O)O)CCN
InChI	InChI	1.03	InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKey	InChI	1.03	HDIHOAXFFROQHR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	86312264, 8913

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.