N-{[(3S)-6,8-Dihydroxy-7-Methoxy-2-(L-Tryptophyl)-1,2,3,4-Tetrahydro-3-Isoquinolinyl]Carbonyl}-5,5'-Dihydroxy-L-Leucine

Molecule SVG Image

Properties Simple | Detailed

Formula C28H34N4O9
IUPAC Name (2s)-2-[[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid
Molecular Mass 570.591 g·mol−1
Heat of Formation -1410.3 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 665.67 Å 3
Surface Area 535.15 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl]carbonylamino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid
  • (2s)-2-[[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid
  • (2s)-2-[[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)propanoyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinoline-3-carbonyl]amino]-5-hydroxy-4-methylol-valeric acid
  • (2s)-2-[[[(3s)-2-[(2s)-2-amino-3-(1h-indol-3-yl)-1-oxopropyl]-6,8-dihydroxy-7-methoxy-3,4-dihydro-1h-isoquinolin-3-yl]-oxomethyl]amino]-5-hydroxy-4-(hydroxymethyl)pentanoic acid
  • tmc-2a
InChIKey ODKDMMTXTVCCLJ-BVSLBCMMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N