(2S)-2-{[(2S)-2-{[(2S,3S)-2-{[(2R)-2-Amino-3-Sulfanylpropyl]Amino}-3-Methylpentyl]Oxy}-3-Phenylpropanoyl]Amino}-4-(Methylsulfonyl)Butanoic Acid

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Properties Simple | Detailed

Formula C23H39N3O6S2
IUPAC Name (2s)-2-[[(2s)-2-[(2s,3s)-2-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid
Molecular Mass 517.702 g·mol−1
Heat of Formation -1167.9 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 637.16 Å 3
Surface Area 462.93 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2-[(2s,3s)-2-[[(2r)-2-amino-3-mercapto-propyl]amino]-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-mesyl-butyric acid
  • (2s)-2-[[(2s)-2-[(2s,3s)-2-[[(2r)-2-amino-3-mercaptopropyl]amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid
  • (2s)-2-[[(2s)-2-[(2s,3s)-2-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-pentoxy]-3-phenyl-propanoyl]amino]-4-methylsulfonyl-butanoic acid
  • (2s)-2-[[(2s)-2-[(2s,3s)-2-[[(2r)-2-amino-3-sulfanylpropyl]amino]-3-methylpentoxy]-3-phenylpropanoyl]amino]-4-methylsulfonylbutanoic acid
  • 2(s)-{2(s)-[2(r)-amino-3-mercapto]propylamino-3(s)-methyl}pentyloxy-3-phenylpropionylmethionine sulfone
  • l-739,750
InChIKey SIEXHGZWGJLLAC-OSTWSGHESA-N
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