L-Asparaginyl-N-[(2S)-2-Acetamido-3-(4-Hydroxyphenyl)Propanoyl]-N-Methyl-L-Prolinamide

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Properties Simple | Detailed

Formula C21H29N5O6
IUPAC Name (2s)-n-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2s)-2,4-diamino-4-oxo-butanoyl]-n-methyl-pyrrolidine-2-carboxamide
Molecular Mass 447.485 g·mol−1
Heat of Formation -1048.9 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 543.13 Å 3
Surface Area 421.04 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]-1-[(2s)-2,4-diamino-1,4-dioxobutyl]-n-methyl-2-pyrrolidinecarboxamide
  • (2s)-n-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2s)-2,4-diamino-4-keto-butanoyl]-n-methyl-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2s)-2,4-diamino-4-oxo-butanoyl]-n-methyl-pyrrolidine-2-carboxamide
  • (2s)-n-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-1-[(2s)-2,4-diamino-4-oxobutanoyl]-n-methylpyrrolidine-2-carboxamide
  • ac-asn-pro-tyr-nhme
  • acetyl-asparaginyl-prolyl-methyltyrosinamide
  • l-tyrosinamide, n2-acetyl-l-asparginyl-l-prolyl-n-methyl-
  • n2-acetyl-l-asparginyl-l-prolyl-n-methyl-l-tyrosinamide
CAS Number(s)
  • 82867-71-8
InChIKey KTSBIEDXOOPHGM-ULQDDVLXSA-N
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