Ethyl (2E,4S)-4-{[(2R,5S)-6-Methyl-2-(3-Methyl-2-Buten-1-Yl)-5-{[(5-Methyl-1,2-Oxazol-3-Yl)Carbonyl]Amino}-4-Oxoheptanoyl]Amino}-5-[(3S)-2-Oxo-3-Pyrrolidinyl]-2-Pentenoate

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Properties Simple | Detailed

Formula C29H42N4O7
IUPAC Name ethyl (e,4s)-4-[[(2r,5s)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
Molecular Mass 558.666 g·mol−1
Heat of Formation -1140.4 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 703.03 Å 3
Surface Area 566.42 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-[[(2r)-2-[(3s)-2-keto-4-methyl-3-[(5-methylisoxazole-3-carbonyl)amino]pentyl]-5-methyl-hex-4-enoyl]amino]-5-[(3s)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester
  • (e,4s)-4-[[(2r,5s)-6-methyl-2-(3-methylbut-2-enyl)-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1,4-dioxoheptyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pent-2-enoic acid ethyl ester
  • ethyl (e,4s)-4-[[(2r,5s)-6-methyl-2-(3-methylbut-2-enyl)-5-[(5-methyl1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • n-((3s,6r)-6-((s,e)-4-ethoxycarbonyl-1-((s)-2-oxopyrrolidin-3-yl)but-3-en-2-ylcarbamoyl)-2,9-dimethyl-4-oxodec-8-en-3-yl)-5-methylisoxazole-3-carboxamide
InChIKey CSNQHKJCKPMZCY-YFUAOJPXSA-N
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