9V6

(2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid

Created: 2018-08-16
Last modified:  2019-04-17

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count1
Bond Count40
Aromatic Bond Count6
2D diagram of 9V6

Chemical Component Summary

Name(2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
FormulaC14 H19 Cl N2 O4
Molecular Weight314.765
TypePEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385N[CH](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)COC(=O)NCCCCC(C(=O)O)N)Cl
Canonical SMILESCACTVS3.385 N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl
InChIInChI1.03 InChI=1S/C14H19ClN2O4/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
InChIKeyInChI1.03 YCQVFPIEKSYHFI-LBPRGKRZSA-N

Related Resource References

Resource NameReference
PubChem 7019058, 2729003