(2S)-N-[(2S)-1-[(4R)-4-Carbamoyl-1,3-Thiazolidin-3-Yl]-3-(1H-Imidazol-5-Yl)-1-Oxo-2-Propanyl]-6-Oxo-2-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C16H22N6O4S
IUPAC Name (4r)-3-[(2s)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-6-oxopiperidine-2-carbonyl]amino]propanoyl]thiazolidine-4-carboxamide
Molecular Mass 394.449 g·mol−1
Heat of Formation -583.4 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 454.99 Å 3
Surface Area 374.61 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s)-2-[(4r)-4-carbamoyl-3-thiazolidinyl]-1-(3h-imidazol-4-ylmethyl)-2-oxoethyl]-6-oxo-2-piperidinecarboxamide
  • (2s)-n-[(1s)-2-[(4r)-4-carbamoylthiazolidin-3-yl]-1-(3h-imidazol-4-ylmethyl)-2-keto-ethyl]-6-keto-pipecolinamide
  • (2s)-n-[(1s)-2-[(4r)-4-carbamoylthiazolidin-3-yl]-1-(3h-imidazol-4-ylmethyl)-2-oxo-ethyl]-6-oxo-piperidine-2-carboxamide
  • (2s)-n-[(2s)-1-[(4r)-4-aminocarbonyl-1,3-thiazolidin-3-yl]-3-(3h-imidazol-4-yl)-1-oxo-propan-2-yl]-6-oxo-piperidine-2-carboxamide
InChIKey OGUDACTYCTVDNZ-SRVKXCTJSA-N
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