N-[(6S)-6-Carboxy-6-(Glycylamino)Hexanoyl]-D-Alanyl-D-Alanine

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Properties Simple | Detailed

Formula C15H27N4O7+
IUPAC Name (2s)-2-[(2-azaniumylacetyl)amino]-7-[[(1r)-2-[[(1r)-1-carboxyethyl]amino]-1-methyl-2-oxo-ethyl]amino]-7-oxo-heptanoate
Molecular Mass 375.397 g·mol−1
Heat of Formation -1240.3 ± 16.7 kJ·mol−1
Dipole Moment 23.26 ± 1.08 D
Volume 461.48 Å 3
Surface Area 386.28 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-aminoethanoylamino)-7-[[(2r)-1-[[(2r)-1-hydroxy-1-oxo-propan-2-yl]amino]-1-oxo-propan-2-yl]amino]-7-oxo-heptanoic acid
  • (2s)-2-(glycylamino)-7-[[(1r)-2-[[(1r)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-1-methyl-ethyl]amino]-7-keto-enanthic acid
  • (2s)-2-[(2-amino-1-oxoethyl)amino]-7-[[(1r)-2-[[(1r)-2-hydroxy-1-methyl-2-oxoethyl]amino]-1-methyl-2-oxoethyl]amino]-7-oxoheptanoic acid
  • (2s)-2-[(2-aminoacetyl)amino]-7-[[(1r)-2-[[(1r)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-7-oxo-heptanoic acid
  • (2s)-2-[(2-aminoacetyl)amino]-7-[[(2r)-1-[[(2r)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-7-oxoheptanoic acid
InChIKey RALBRZJHHGWNNU-BBBLOLIVSA-N
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