9VL

?

Summary

Name:(2S)-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid
Formula:C14 H19 Br N2 O4
Formal charge:0
Molecular weight:359.216 Da
Component type:peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{S})-2-azanyl-6-[(2-bromophenyl)methoxycarbonylamino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H19BrN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyInChI1.03YGZWYMNBUCDJRQ-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385N[C@@H](CCCCNC(=O)OCc1ccccc1Br)C(O)=O
SMILESCACTVS3.385N[CH](CCCCNC(=O)OCc1ccccc1Br)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)Br