N-[(3Z,5S,8S,10S)-10-Hydroxy-5-Methyl-2,7-Dioxo-1,6-Diazacyclododec-3-En-8-Yl]-L-Threoninamide

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Properties Simple | Detailed

Formula C15H26N4O5
IUPAC Name (2s,3r)-2-amino-3-hydroxy-n-[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]butanamide
Molecular Mass 342.391 g·mol−1
Heat of Formation -929.2 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 415.81 Å 3
Surface Area 342.68 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-amino-3-hydroxy-n-[(3z,5s,8s,10s)-10-hydroxy-2,7-diketo-5-methyl-1,6-diazacyclododec-3-en-8-yl]butyramide
  • (2s,3r)-2-amino-3-hydroxy-n-[(3z,5s,8s,10s)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]butanamide
  • 2,4-dodecadienoylthreonine
  • butanamide, 2-amino-3-hydroxy-n-(10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl)-, (5s-(3e,5r*,8r*(2r*,3s*),10r*))-
CAS Number(s)
  • 108351-43-5
InChIKey CCYLUFZEKWWUDT-KVNLEZKGSA-N
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