N-Methyl-L-Alanyl-3-Methyl-L-Valyl-(4S)-4-Phenoxy-N-[(1R)-1,2,3,4-Tetrahydro-1-Naphthalenyl]-L-Prolinamide

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Properties Simple | Detailed

Formula C31H42N4O4
IUPAC Name (2s,4s)-1-[(2s)-3,3-dimethyl-2-[[(2s)-2-(methylamino)propanoyl]amino]butanoyl]-4-phenoxy-n-[(1r)-tetralin-1-yl]pyrrolidine-2-carboxamide
Molecular Mass 534.690 g·mol−1
Heat of Formation -700.7 ± 16.7 kJ·mol−1
Dipole Moment 6.52 ± 1.08 D
Volume 671.46 Å 3
Surface Area 528.66 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4s)-1-[(2s)-3,3-dimethyl-2-[[(2s)-2-methylamino-1-oxopropyl]amino]-1-oxobutyl]-4-(phenoxy)-n-[(1r)-1-tetralinyl]-2-pyrrolidinecarboxamide
  • (2s,4s)-1-[(2s)-3,3-dimethyl-2-[[(2s)-2-methylaminopropanoyl]amino]butanoyl]-4-(phenoxy)-n-[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
  • (2s,4s)-1-[(2s)-3,3-dimethyl-2-[[(2s)-2-methylaminopropanoyl]amino]butanoyl]-4-(phenoxy)-n-[(1r)-tetralin-1-yl]pyrrolidine-2-carboxamide
  • 1-[3,3-dimethyl-2-(2-methylamino-propionylamino)-butyryl]-4-phenoxy-pyrrolidine-2-carboxylic acid(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide
  • n-methylalanyl-3-methylvalyl-4-phenoxy-n-(1,2,3,4-tetrahydronaphthalen-1-yl)prolinamide
InChIKey QKPXPZYQPBWDHS-MCJAPYMPSA-N
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