N-[(3α,5Beta,7α,12α)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Glycyl-N-[2-(1H-Imidazol-5-Yl)Ethyl]Glycinamide

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Properties Simple | Detailed

Formula C33H53N5O6
IUPAC Name (4r)-n-[2-[[2-[2-(1h-imidazol-5-yl)ethylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide
Molecular Mass 615.804 g·mol−1
Heat of Formation -1300.0 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 787.67 Å 3
Surface Area 529.61 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-[2-[[2-[2-(3h-imidazol-4-yl)ethylamino]-2-keto-ethyl]amino]-2-keto-ethyl]-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]valeramide
  • (4r)-n-[2-[[2-[2-(3h-imidazol-4-yl)ethylamino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide
  • (4r)-n-[2-[[2-[2-(3h-imidazol-4-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide
  • c-(gly)2-h
  • cholyldiglycylhistamine
  • glycinamide, n-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)glycyl-n-(2-(1h-imidazol-4-yl)ethyl)-
CAS Number(s)
  • 98584-68-0
InChIKey CYMOQRVLVAJWLY-DXUXSUHXSA-N
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