NC7
Summary
Name: | 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID |
Synonyms: | 4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID |
Formula: | C14 H26 N2 O3 |
Formal charge: | 0 |
Formula weight: | 270.368 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 7-[(cyclohexylcarbamoyl)amino]heptanoic acid |
OpenEye OEToolkits | 1.5.0 | 7-(cyclohexylcarbamoylamino)heptanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC1CCCCC1)NCCCCCCC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCCNC(=O)NC1CCCCC1 |
SMILES | CACTVS | 3.341 | OC(=O)CCCCCCNC(=O)NC1CCCCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)NC(=O)NCCCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)NC(=O)NCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H26N2O3/c17-13(18)10-6-1-2-7-11-15-14(19)16-12-8-4-3-5-9-12/h12H,1-11H2,(H,17,18)(H2,15,16,19) |
InChIKey | InChI | 1.03 | GYTIWWDVOFXKPF-UHFFFAOYSA-N |