O18

?

Summary

Name:[(2~{S})-2-azanyl-3-oxidanylidene-propyl] (~{Z})-hexadec-9-enoate
Formula:C19 H35 N O3
Formal charge:0
Molecular weight:325.486 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2-azanyl-3-oxidanylidene-propyl] (~{Z})-hexadec-9-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(20)16-21/h7-8,16,18H,2-6,9-15,17,20H2,1H3/b8-7-/t18-/m1/s1
InChIKeyInChI1.03BUNQZTJOMDSTRU-JTHGQSKGSA-N
SMILES_CANONICALCACTVS3.385CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](N)C=O
SMILESCACTVS3.385CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C=O)N
SMILESOpenEye OEToolkits2.0.7CCCCCCC=CCCCCCCCC(=O)OCC(C=O)N
167518
PDB entries from 2020-08-12