L-Isoleucyl-L-Prolyl-L-Isoleucine

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Properties Simple | Detailed

Formula C17H31N3O4
IUPAC Name (2s,3s)-2-[[(2s)-1-[(2s,3s)-2-azaniumyl-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoate
Molecular Mass 341.446 g·mol−1
Heat of Formation -932.2 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 439.98 Å 3
Surface Area 346.84 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[[(2s)-1-[(2s,3s)-2-amino-3-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[[(2s)-1-[(2s,3s)-2-amino-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[[(2s)-1-[(2s,3s)-2-amino-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-valeric acid
  • (2s,3s)-2-[[(2s)-1-[(2s,3s)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
  • (2s,3s)-2-[[[(2s)-1-[(2s,3s)-2-amino-3-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid
  • bcbcmap01_000164
  • l-isoleucine, n-(1-l-isoleucyl-l-prolyl)-
  • n-(1-l-isoleucyl-l-prolyl)-l-isoleucine
  • smp1_000085
CAS Number(s)
  • 90614-48-5
InChIKey JNTMAZFVYNDPLB-PEDHHIEDSA-N
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