N-{(2R)-2-Cyclohexyl-2-[(Diaminomethylene)Amino]Acetyl}Glycyl-N-(3-Sulfanylpropyl)-L-Alaninamide

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Properties Simple | Detailed

Formula C17H32N6O3S
IUPAC Name (2s)-2-[[2-[[(2r)-2-cyclohexyl-2-guanidino-acetyl]amino]acetyl]amino]-n-(3-sulfanylpropyl)propanamide
Molecular Mass 400.539 g·mol−1
Heat of Formation -622.6 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 502.71 Å 3
Surface Area 440.02 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[[(2r)-2-cyclohexyl-2-(diaminomethylideneamino)ethanoyl]amino]ethanoylamino]-n-(3-sulfanylpropyl)propanamide
  • (2s)-2-[[2-[[(2r)-2-cyclohexyl-2-(diaminomethylideneamino)acetyl]amino]acetyl]amino]-n-(3-sulfanylpropyl)propanamide
  • (2s)-2-[[2-[[(2r)-2-cyclohexyl-2-guanidino-1-oxoethyl]amino]-1-oxoethyl]amino]-n-(3-mercaptopropyl)propanamide
  • (2s)-2-[[2-[[(2r)-2-cyclohexyl-2-guanidino-acetyl]amino]acetyl]amino]-n-(3-mercaptopropyl)propionamide
  • (2s)-2-[[2-[[(2r)-2-cyclohexyl-2-guanidino-acetyl]amino]acetyl]amino]-n-(3-sulfanylpropyl)propanamide
  • 2-[2-(2-cyclohexyl-2-guanidino-acetylamino)-acetylamino]-n-(3-mercapto-propyl)-propionamide
InChIKey YLLNYDDZOMCFDE-SMDDNHRTSA-N
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