N-[(3S)-3-Hydroxy-4-Oxo-4-(Propylamino)Butanoyl]-L-Isoleucyl-L-Proline

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Formula C18H31N3O6
IUPAC Name (2s)-1-[(2s,3s)-2-[[(3s)-3-hydroxy-4-oxo-4-(propylamino)butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 385.455 g·mol−1
Heat of Formation -1317.6 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 485.06 Å 3
Surface Area 405.76 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s,3s)-2-[[(3s)-3-hydroxy-1,4-dioxo-4-propylaminobutyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s,3s)-2-[[(3s)-3-hydroxy-4-keto-4-propylamino-butanoyl]amino]-3-methyl-pentanoyl]proline
  • (2s)-1-[(2s,3s)-2-[[(3s)-3-hydroxy-4-oxo-4-propylamino-butanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s,3s)-2-[[(3s)-3-hydroxy-4-oxo-4-propylaminobutanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
  • [n-(l-3-trans-propylcarbamoyl-oxirane-2-carbonyl)-l-isoleucyl-l-proline]
  • [propylamino-3-hydroxy-butan-1,4-dionyl]-isoleucyl-proline
InChIKey UDNIFTKCMDIXFC-ABHRYQDASA-N
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