N-[(2S)-1-(4-{N-[(2,4-Dichlorophenyl)Sulfonyl]-L-Seryl}-1-Piperazinyl)-4-Methyl-1-Oxo-2-Pentanyl]-1-Benzothiophene-2-Carboxamide

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Properties Simple | Detailed

Formula C28H32Cl2N4O6S2
IUPAC Name n-[(1s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide
Molecular Mass 655.613 g·mol−1
Heat of Formation -981.8 ± 16.7 kJ·mol−1
Dipole Moment 8.13 ± 1.08 D
Volume 706.01 Å 3
Surface Area 505.29 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-propanoyl]piperazine-1-carbonyl]-3-methyl-butyl]benzothiophene-2-carboxamide
  • n-[(1s)-1-[[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-1-oxopropyl]-1-piperazinyl]-oxomethyl]-3-methylbutyl]-2-benzothiophenecarboxamide
  • n-[(2s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxy-propanoyl]piperazin-1-yl]-4-methyl-1-oxo-pentan-2-yl]-1-benzothiophene-2-carboxamide
  • n-[(2s)-1-[4-[(2s)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
InChIKey IVYQPSHHYIAUFO-VXKWHMMOSA-N
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Elements C Cl H O N S