Structural Complex
Chemical ID: A1CZU
IUPAC Name: N-(6-aminohexyl)-6-oxohexanamide
Formal Charge: 0
Type: non-polymer
Physiochemical Descriptor:
Formula: C12 H24 N2 O3
Molecular weight: 244.331
Hydrogen Bond Acceptor: 4
Hydrogen Bond Donor: 3
Rotatable Bonds: 12
Heavy Atoms: 17
Systematic name
Program Version Descriptor
ACDLabs 14.52 6-[(6-aminohexyl)amino]-6-oxohexanoic acid
OpenEye OEToolkits 3.1.0.0 6-(6-azanylhexylamino)-6-oxidanylidene-hexanoic acid
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 O=C(CCCCC(=O)O)NCCCCCCN
InChI InChI 1.06 InChI=1S/C12H24N2O3/c13-9-5-1-2-6-10-14-11(15)7-3-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKey InChI 1.06 JEZCDUHGYZKMCY-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 NCCCCCCNC(=O)CCCCC(O)=O
SMILES CACTVS 3.385 NCCCCCCNC(=O)CCCCC(O)=O
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 C(CCCNC(=O)CCCCC(=O)O)CCN
SMILES OpenEye OEToolkits 3.1.0.0 C(CCCNC(=O)CCCCC(=O)O)CCN
Chemical Database Mapping
Database Reference ID
PubChem 59866394
SureChEMBL SCHEMBL13566562
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