(2R,5S,8S,11S,15S)-8-Benzyl-2,7-Dimethyl-5-{3-[N'-(Methylcarbamoyl)Carbamimidamido]Propyl}-3,6,9,13,17-Pentaoxo-1,4,7,10,14-Pentaazacycloheptadecane-11,15-Dicarboxylic Acid

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Formula C29H41N9O10
IUPAC Name (2r,5s,8s,11s,15s)-5-[3-[(e)-[amino-(methylcarbamoylamino)methylene]amino]propyl]-8-benzyl-2,7-dimethyl-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid
Molecular Mass 675.690 g·mol−1
Heat of Formation -1759.3 ± 16.7 kJ·mol−1
Dipole Moment 9.75 ± 1.08 D
Volume 809.26 Å 3
Surface Area 604.85 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5s,8s,11s,15s)-5-[3-[[amino-(methylcarbamoylamino)methylene]amino]propyl]-2,7-dimethyl-3,6,9,13,17-pentaoxo-8-(phenylmethyl)-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid
  • (2r,5s,8s,11s,15s)-5-[3-[[amino-(methylcarbamoylamino)methylene]amino]propyl]-8-(benzyl)-3,6,9,13,17-pentaketo-2,7-dimethyl-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid
  • (2r,5s,8s,11s,15s)-5-[3-[[amino-(methylcarbamoylamino)methylidene]amino]propyl]-2,7-dimethyl-3,6,9,13,17-pentaoxo-8-(phenylmethyl)-1,4,7,10,14-pentazacycloheptadecane-11,15-dicarboxylic acid
  • argifin
  • cyclo[d-alanyl-n5-[imino[[(methylamino)carbonyl]amino]methyl]-l-ornithyl-n-methyl-l-phenylalanyl-l-beta-aspartyl-l-beta-aspartyl] (9ci)
  • ftd 0668
  • rag
CAS Number(s)
  • 243975-37-3
InChIKey UHBHXSDKGLPPGO-HTDHLNIYSA-N
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