Methyl N-[(2S,3S)-3-Amino-2-Hydroxy-5-Methylhexyl]-L-Valyl-L-Isoleucyl-L-Phenylalaninate

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Properties Simple | Detailed

Formula C28H48N4O5
IUPAC Name methyl (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-3-amino-2-hydroxy-5-methyl-hexyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate
Molecular Mass 520.705 g·mol−1
Heat of Formation -1097.5 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 690.0 Å 3
Surface Area 568.17 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-3-amino-2-hydroxy-5-methyl-hexyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester
  • (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester
  • methyl (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-3-amino-2-hydroxy-5-methyl-hexyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate
  • methyl (2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s,3s)-3-amino-2-hydroxy-5-methylhexyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
InChIKey JAELWYBMQVXTOC-ACUVNOOJSA-N
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