2,5-Penicillamine-4-(4-chlorophenylalanine)-enkephalin
[CAS# 122507-47-5]

Identification

• Name: 2,5-Penicillamine-4-(4-chlorophenylalanine)-enkephalin
• 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
• Molecular Formula: C₃₀H₃₈ClN₅O₇S₂
• Molecular Weight: 680.23
• CAS Registry Number: 122507-47-5
• SMILES: [C@@H]2(NC(=O)[C@@H](N)CC1=CC=C(O)C=C1)C(SSC([C@@H](NC(=O)[C@@H](NC(=O)CNC2=O)CC3=CC=C(Cl)C=C3)C(=O)O)(C)C)(C)C
• InChI: 1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
• InChIKey: VTVUYFFDQHWCTJ-WMIMKTLMSA-N
• Protein Sequence: H-Tyr-D-Pen-Gly-p-chloro-Phe-D-Pen-OH

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 1052.014°C at 760 mmHg (Cal.)
• Flash point: 590.037°C (Cal.)