(3S,6S,12R)-12-Amino-6-Benzyl-3-Isobutyl-4-(L-Tyrosyl)-1,4,7,10-Tetraazacyclotetradecane-2,5,8,11-Tetrone

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Properties Simple | Detailed

Formula C30H40N6O6
IUPAC Name (3s,6s,12r)-12-amino-4-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-6-benzyl-3-isobutyl-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone
Molecular Mass 580.675 g·mol−1
Heat of Formation -980.7 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 717.35 Å 3
Surface Area 487.43 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s,12r)-12-amino-4-[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-3-isobutyl-6-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone
  • (3s,6s,12r)-12-amino-4-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-(2-methylpropyl)-6-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone
  • (3s,6s,12r)-12-amino-4-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3-isobutyl-6-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-tetrone
  • (3s,6s,12r)-12-amino-4-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]-6-(benzyl)-3-isobutyl-1,4,7,10-tetrazacyclotetradecane-2,5,8,11-diquinone
  • cyclo-n(gamma)-dinh-butyryl-leu-enkephalin
  • enkephalin-leu, cyclo-n(gamma)-diaminobutyryl-
  • enkephalin-leu, cyclo-n(gamma)-dinh-butyryl-
  • l-leucine, l-tyrosyl-d-alpha,gamma-diaminobutyrylglycyl-l-phenylalanyl-, cyclic (5-2)-peptide
  • leu-enkephalin, cyclo-n(gamma)-dinh-butyryl-
  • leucine-enkephalin, cyclo-n(gamma)-dinh-butyryl-
  • tabgp
  • tyr-cyclo(-n(gamma)-d-a2-bu-gly-phe-leu-)
CAS Number(s)
  • 77171-72-3
InChIKey RENGGPKMSRKEQC-ROHNOIKCSA-N
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