(2S)-2-({N-[(2R)-2-Ammonio-4-Methylpentanoyl]Glycyl}Amino)-3-Phenylpropanoate

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Properties Simple | Detailed

Formula C17H25N3O4
IUPAC Name (2s)-2-[[2-[[(2r)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoic acid
Molecular Mass 335.398 g·mol−1
Heat of Formation -722.7 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 430.58 Å 3
Surface Area 358.19 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[[(2r)-2-azaniumyl-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoate
  • (2s)-2-[[2-[[(2r)-2-ammonio-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-phenylpropanoate
  • (2s)-2-[[2-[[(2r)-2-ammonio-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propionate
  • (2s)-2-[[2-[[(2r)-2-azaniumyl-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoate
  • (2s)-2-[[2-[[(2r)-2-azaniumyl-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoate
InChIKey KEVYYIMVELOXCT-KGLIPLIRSA-N
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