N-Acetyl-L-Tyrosyl-N-[(2S)-2,4-Diamino-4-Oxobutanoyl]-N-Methyl-L-Prolinamide

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Properties Simple | Detailed

Formula C21H29N5O6
IUPAC Name (2s)-n-[(2s)-1-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-n-methyl-butanediamide
Molecular Mass 447.485 g·mol−1
Heat of Formation -1056.2 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 539.53 Å 3
Surface Area 443.61 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(2s)-1-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonyl-2-amino-n-methyl-butanediamide
  • (2s)-n-[(2s)-1-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-n-methyl-butanediamide
  • (2s)-n-[(2s)-1-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-n-methyl-succinamide
  • (2s)-n-[(2s)-1-[(2s)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]-2-amino-n-methylbutanediamide
  • (2s)-n-[[(2s)-1-[(2s)-2-acetamido-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-amino-n-methylbutanediamide
  • ac-tyr-pro-asn-nhme
  • acetyl-tyrosyl-prolyl-methylasparaginamide
  • l-aspartamide, n-acetyl-l-tyrosyl-l-prolyl-n1-methyl-
CAS Number(s)
  • 82867-72-9
InChIKey QLLCRUTUDDVXHD-ULQDDVLXSA-N
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