(4S,7S,13S)-7-(4-Chlorobenzyl)-3,3,14,14-Tetramethyl-6,9,12-Trioxo-13-(L-Tyrosylamino)-1,2-Dithia-5,8,11-Triazacyclotetradecane-4-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C30H38ClN5O7S2
IUPAC Name (4s,7s,13s)-13-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular Mass 680.235 g·mol−1
Heat of Formation -1236.8 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 778.23 Å 3
Surface Area 569.05 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,7s,13s)-13-[[(2s)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
  • (4s,7s,13s)-13-[[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(4-chlorobenzyl)-6,9,12-triketo-3,3,14,14-tetramethyl-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
  • (d-pen(2)-pcl-phe(4)-d-pen(5))enkephalin
  • (d-pen2,5, pcl-phe4)enkephalin
  • 2,5-pen-4-(4-chloro-phe)-enkephalin
  • 2,5-penicillamine-4-(4-chlorophenylalanine)-enkephalin
  • d-valine, l-tyrosyl-3-mercapto-d-valylglycyl-4-chloro-l-phenylalanyl-3-mercapto-, cyclic (2-5)-disulfide
  • dpdp(cl)e
  • enkephalin, d-pen(2), d-pen(5), p-cl-phe(4)
  • enkephalin, pen(2,5)-4-chloro-phe(4)-
  • enkephalin, penicillamine(2,5)-4-chlorophenylalanine(4)-
  • pcl-dpdpe
CAS Number(s)
  • 122507-47-5
InChIKey VTVUYFFDQHWCTJ-WMIMKTLMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S