Methyl N-[(2S,3R)-3-Amino-2-Hydroxy-3-(4-Isopropylphenyl)Propanoyl]-L-Alanyl-D-Leucinate

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Properties Simple | Detailed

Formula C22H35N3O5
IUPAC Name methyl (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-pentanoate
Molecular Mass 421.530 g·mol−1
Heat of Formation -1014.8 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 545.72 Å 3
Surface Area 469.69 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester
  • (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-valeric acid methyl ester
  • 2-{2-[3-amino-2-hydroxy-3-(4-isopropyl-phenyl)-propionylamino]-propionylamino}-4-methyl-pentanoic acid methyl ester
  • methyl (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-pentanoate
  • methyl (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-propan-2-ylphenyl)propanoyl]amino]propanoyl]amino]-4-methyl-pentanoate
  • methyl (2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-3-(4-propan-2-ylphenyl)propanoyl]amino]propanoyl]amino]-4-methylpentanoate
  • methyl n-[(2s,3r)-3-amino-2-hydroxy-3-(4-isopropylphenyl)propanoyl]-d-alanyl-d-leucinate
  • u16
InChIKey WIWZNHHLFMPGGO-PIKADFDJSA-N
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