N-[(2S,3R)-3-Amino-2-Hydroxy-5-Methylhexanoyl]-L-Valyl-D-Valyl-L-Aspartic Acid

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Properties Simple | Detailed

Formula C21H38N4O8
IUPAC Name (2s)-2-[[(2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
Molecular Mass 474.548 g·mol−1
Heat of Formation -1744.7 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 598.28 Å 3
Surface Area 487.83 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-5-methyl-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]butanedioic acid
  • (2s)-2-[[(2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]butanedioic acid
  • (2s)-2-[[(2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-5-methyl-hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]succinic acid
  • (2s)-2-[[(2r)-2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-5-methylhexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
  • amastatin
  • ati
  • n-(3-amino-2-hydroxy-5-methylhexanoyl)valylvalylaspartic acid
InChIKey QFAADIRHLBXJJS-FITYOTRXSA-N
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