A1JXD

(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

Created:2026-01-12
Last modified:  2026-02-18

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count4
Bond Count44
Aromatic Bond Count6
2D diagram of A1JXD
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Chemical Component Summary

Name(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
FormulaC16 H19 N3 O4 S
Molecular Weight349.405
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH]1CS[CH](N=C1C(O)=O)[CH](NC(=O)[CH](N)c2ccccc2)C=O
SMILESOpenEye OEToolkits2.0.7CC1CSC(N=C1C(=O)O)C(C=O)NC(=O)C(c2ccccc2)N
Canonical SMILESCACTVS3.385 C[C@H]1CS[C@@H](N=C1C(O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N
InChIInChI1.06 InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,9,11-12,15H,8,17H2,1H3,(H,18,21)(H,22,23)/t9?,11-,12-,15-/m1/s1
InChIKeyInChI1.06 SGDBJNVCNZNWTA-MSJRJPAQSA-N