Methyl N-{[(1R)-1-({1-[(Benzyloxy)Carbonyl]-L-Prolyl-6-Ammonio-L-Norleucyl}Amino)-2-Phenylethyl](Hydroxy)Phosphoryl}-L-Alanyl-L-Prolinate

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Properties Simple | Detailed

Formula C36H52N6O9P+
IUPAC Name [(5s)-5-[[(2s)-1-benzyloxycarbonylpyrrolidine-2-carbonyl]amino]-6-[[(1r)-1-[hydroxy-[[(1s)-2-[(2s)-2-methoxycarbonylpyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]phosphoryl]-2-phenyl-ethyl]amino]-6-oxo-hexyl]ammonium
Molecular Mass 743.807 g·mol−1
Heat of Formation 4021.9 ± 16.7 kJ·mol−1
Dipole Moment 8.72 ± 1.08 D
Volume 751.6 Å 3
Surface Area 618.5 Å 2
Point Group Symmetry C1
Synonyms
  • [(5s)-5-[[(2s)-1-(benzyloxycarbonyl)pyrrolidine-2-carbonyl]amino]-6-[[(1r)-1-[[[(1s)-2-[(2s)-2-carbomethoxypyrrolidin-1-yl]-2-keto-1-methyl-ethyl]amino]-hydroxy-phosphoryl]-2-phenyl-ethyl]amino]-6-keto-hexyl]ammonium
  • [(5s)-6-[[(1r)-1-[hydroxy-[[(1s)-2-[(2s)-2-methoxycarbonyl-1-pyrrolidinyl]-1-methyl-2-oxoethyl]amino]phosphoryl]-2-phenylethyl]amino]-6-oxo-5-[[oxo-[(2s)-1-[oxo-(phenylmethoxy)methyl]-2-pyrrolidinyl]methyl]amino]hexyl]ammonium
  • [(5s)-6-[[(1r)-1-[hydroxy-[[(1s)-2-[(2s)-2-methoxycarbonylpyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]amino]phosphoryl]-2-phenyl-ethyl]amino]-6-oxo-5-[[(2s)-1-(phenylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]hexyl]ammonium
  • [(5s)-6-[[(1r)-1-[hydroxy-[[(2s)-1-[(2s)-2-methoxycarbonylpyrrolidin-1-yl]-1-oxo-propan-2-yl]amino]phosphoryl]-2-phenyl-ethyl]amino]-6-oxo-5-[[(2s)-1-(phenylmethoxycarbonyl)pyrrolidin-2-yl]carbonylamino]hexyl]azanium
InChIKey JVJRALIDWYDPLY-HEPRJOMSSA-O
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