Bis[(1R)-1-{[(2S)-2-{[(Benzyloxy)Carbonyl]Amino}-3-Methylbutanoyl]Amino}-2-Phenylethyl]Phosphinic Acid

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Properties Simple | Detailed

Formula C42H51N4O8P
IUPAC Name bis[(1r)-1-[[(2s)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-ethyl]phosphinic acid
Molecular Mass 770.850 g·mol−1
Heat of Formation -1381.3 ± 16.7 kJ·mol−1
Dipole Moment 0.78 ± 1.08 D
Volume 967.13 Å 3
Surface Area 747.36 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2-phenyl-1-carbobenzyl-oxyvalyl-amino)-ethyl-phosphinic acid
  • 2,5,9,12-tetraaza-7-phosphatridecanedioic acid, 7-hydroxy-3,11-bis(1-methylethyl)-4,10-dioxo-6,8-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide, (3s,6r,8r,11s)-
  • 2,5,9,12-tetraaza-7-phosphatridecanedioic acid, 7-hydroxy-3,11-bis(1-methylethyl)-4,10-dioxo-6,8-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide, (3s-(3r*,6s*,8s*,11r*))-
  • sb 204144
  • sb-204144
  • sb204144
CAS Number(s)
  • 141396-10-3
InChIKey NKLAQVJZOVABOV-RNATXAOGSA-N
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