Methyl N-[(5-{[(2R)-2-Amino-3-Sulfanylpropyl]Amino}-2-Biphenylyl)Carbonyl]-L-Leucinate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H31N3O3S
IUPAC Name methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoate
Molecular Mass 429.576 g·mol−1
Heat of Formation -446.7 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 535.85 Å 3
Surface Area 438.5 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[4-[[(2r)-2-amino-3-mercapto-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-valeric acid methyl ester
  • (2s)-2-[[[4-[[(2r)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-benzoyl]amino]-4-methyl-pentanoate
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]carbonylamino]-4-methyl-pentanoate
  • methyl (2s)-2-[[4-[[(2r)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoate
  • n-4-[2(r)-amino-3-mercaptopropyl]amino-2-phenylbenzoyl-(l)-leucine methyl ester, tfa
InChIKey IENQPUVVSDIXCT-UTKZUKDTSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N