(2R)-2-[(2-Amino-1,3-Thiazol-4-Yl)Methyl]-N~1~-[(2S,3R,4S)-1-Cyclohexyl-3,4-Dihydroxy-6-Methyl-2-Heptanyl]-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1S)-1-Phenylethyl]Succinamide

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Properties Simple | Detailed

Formula C34H53N5O5S
IUPAC Name (2r)-2-[(2-aminothiazol-4-yl)methyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-n'-[2-(dimethylamino)-2-oxo-ethyl]-n'-[(1s)-1-phenylethyl]butanediamide
Molecular Mass 643.880 g·mol−1
Heat of Formation -1067.1 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 811.29 Å 3
Surface Area 572.44 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methyl-heptan-2-yl]-n'-(2-dimethylamino-2-oxo-ethyl)-n'-[(1s)-1-phenylethyl]butanediamide
  • (2r)-2-[(2-amino-1,3-thiazol-4-yl)methyl]-n-[(2s,3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-n'-(2-dimethylamino-2-oxoethyl)-n'-[(1s)-1-phenylethyl]butanediamide
  • (2r)-2-[(2-amino-4-thiazolyl)methyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-n'-(2-dimethylamino-2-oxoethyl)-n'-[(1s)-1-phenylethyl]butanediamide
  • (2r)-2-[(2-aminothiazol-4-yl)methyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-n'-(2-dimethylamino-2-keto-ethyl)-n'-[(1s)-1-phenylethyl]succinamide
  • (2r)-2-[(2-aminothiazol-4-yl)methyl]-n-[(1s,2r,3s)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methyl-hexyl]-n'-(2-dimethylamino-2-oxo-ethyl)-n'-[(1s)-1-phenylethyl]butanediamide
  • dmf-phc-hii-cha-ip3
InChIKey OXJHMLABLLIRCI-MKLHLGAXSA-N
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