N-(4-Aminobutanoyl)-S-[(2R)-2-Amino-2-Carboxyethyl]-L-Homocysteine

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Properties Simple | Detailed

Formula C11H21N3O5S
IUPAC Name (2s)-2-(4-aminobutanoylamino)-4-[(2r)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid
Molecular Mass 307.367 g·mol−1
Heat of Formation -979.5 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 367.25 Å 3
Surface Area 341.06 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(4-aminobutanoylamino)-4-[(2r)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl-butanoic acid
  • (2s)-2-(4-aminobutanoylamino)-4-[(2r)-2-amino-3-hydroxy-3-oxopropyl]sulfanylbutanoic acid
  • (2s)-2-(4-aminobutanoylamino)-4-[[(2r)-2-amino-3-hydroxy-3-keto-propyl]thio]butyric acid
  • (2s)-4-[[(2r)-2-amino-3-hydroxy-3-oxopropyl]thio]-2-[(4-amino-1-oxobutyl)amino]butanoic acid
  • l-homocysteine, s-(2-amino-2-carboxyethyl)-n-(4-amino-1-oxobutyl)-, (r)-
  • n(alpha)-(4-aminobutyryl)cystathionine
CAS Number(s)
  • 77659-42-8
InChIKey HLZQGCPYTRRAMG-YUMQZZPRSA-N
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