Benzyl (1-{(2-Amino-2-Methylpropanoyl)[(2S)-2-Aminopropanoyl]Amino}-2-Methyl-1-Oxo-2-Propanyl)Methylcarbamate

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Properties Simple | Detailed

Formula C20H30N4O5
IUPAC Name benzyl n-[2-[(2-amino-2-methyl-propanoyl)-[(2s)-2-aminopropanoyl]amino]-1,1-dimethyl-2-oxo-ethyl]-n-methyl-carbamate
Molecular Mass 406.476 g·mol−1
Heat of Formation -902.3 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 485.38 Å 3
Surface Area 357.99 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • benzyloxycarbonyl alpha-aminoisobutyryl-alpha-aminoisobutyryl-n-methylalaninamide
  • benzyloxycarbonyl-aib-aib-ala-nhme
  • l-alaninamide, 2-methyl-n-((phenylmethoxy)carbonyl)alanyl-2-methylalanyl-n-methyl-
  • n-[2-[(2-amino-2-methyl-1-oxopropyl)-[(2s)-2-amino-1-oxopropyl]amino]-1,1-dimethyl-2-oxoethyl]-n-methylcarbamic acid phenylmethyl ester
  • n-[2-[alanyl-(2-amino-2-methyl-propanoyl)amino]-2-keto-1,1-dimethyl-ethyl]-n-methyl-carbamic acid benzyl ester
  • phenylmethyl n-[1-[(2-amino-2-methyl-propanoyl)-[(2s)-2-aminopropanoyl]amino]-2-methyl-1-oxo-propan-2-yl]-n-methyl-carbamate
  • phenylmethyl n-[1-[(2-amino-2-methylpropanoyl)-[(2s)-2-aminopropanoyl]amino]-2-methyl-1-oxopropan-2-yl]-n-methylcarbamate
  • phenylmethyl n-[2-[(2-amino-2-methyl-propanoyl)-[(2s)-2-aminopropanoyl]amino]-1,1-dimethyl-2-oxo-ethyl]-n-methyl-carbamate
  • z-aib-aib-ala-nhme
CAS Number(s)
  • 70904-78-8
InChIKey HNOLXIGMLHPXQM-ZDUSSCGKSA-N
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