N-[(5-Methyl-1,2-Oxazol-3-Yl)Carbonyl]-L-Alanyl-L-Valyl-N-{(2S,3E)-5-Ethoxy-5-Oxo-1-[(3S)-2-Oxo-3-Pyrrolidinyl]-3-Penten-2-Yl}-L-Leucinamide

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Properties Simple | Detailed

Formula C30H46N6O8
IUPAC Name ethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
Molecular Mass 618.722 g·mol−1
Heat of Formation -1409.4 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 768.92 Å 3
Surface Area 631.15 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxobutyl]amino]-1-oxopentyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pent-2-enoic acid ethyl ester
  • (e,4s)-5-[(3s)-2-ketopyrrolidin-3-yl]-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]pent-2-enoic acid ethyl ester
  • ethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • ethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methyl1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • ethyl (e,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methylisoxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • ethyl (z,4s)-4-[[(2s)-4-methyl-2-[[(2s)-3-methyl-2-[[(2s)-2-[(5-methyl1,2-oxazole-3-carbonyl)amino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
InChIKey LIVSSCDUYUOZEL-GLXPMXKMSA-N
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