3-Methyl-L-Valyl-L-Prolyl-L-Isoleucine

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Properties Simple | Detailed

Formula C17H31N3O4
IUPAC Name (2s,3s)-2-[[(2s)-1-[(2s)-2-amino-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid
Molecular Mass 341.446 g·mol−1
Heat of Formation -957.2 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 439.13 Å 3
Surface Area 338.12 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[[(2s)-1-[(2s)-2-amino-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[[(2s)-1-[(2s)-2-amino-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoic acid
  • (2s,3s)-2-[[(2s)-1-[(2s)-2-amino-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-valeric acid
  • (2s,3s)-2-[[(2s)-1-[(2s)-2-amino-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
  • (2s,3s)-2-[[[(2s)-1-[(2s)-2-amino-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylpentanoic acid
InChIKey SQVUEHPVMOLXQG-ZDEQEGDKSA-N
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