Bis(N,N-diallyl-2-alanyl-5-leucine-enkephalyl)cystine
[CAS# 93450-55-6]

Identification

• Name: Bis(N,N-diallyl-2-alanyl-5-leucine-enkephalyl)cystine
• Synonyms: Leucine-Enkephalin,-N,N-Diallyl-Ala(2)-Bis(Cystine)(6)-; 2-N,N-Diallyl-Ala-Bis(Cystine)(6)-Leu-Enkephalin; Bdaales
• Molecular Formula: C₇₆H₁₀₂N₁₂O₁₆S₂
• Molecular Weight: 1503.83
• CAS Registry Number: 93450-55-6
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC(CNC([C@H](NC([C@@H](N(CC=C)CC=C)CC1=CC=C(O)C=C1)=O)C)=O)=O)CC2=CC=CC=C2)=O)CC(C)C)=O)CSC[C@H](C(=O)O)NC([C@@H](NC([C@@H](NC(CNC([C@H](NC([C@@H](N(CC=C)CC=C)CC34C(C=C(O)C=C3)S4)=O)C)=O)=O)CC5=CC=CC=C5)=O)CC(C)C)=O
• InChI: 1S/C76H102N12O16S2/c1-11-31-87(32-12-2)61(39-52-25-27-53(89)28-26-52)72(99)79-48(9)66(93)77-42-64(91)81-57(37-50-21-17-15-18-22-50)70(97)83-55(35-46(5)6)68(95)85-59(74(101)102)44-105-45-60(75(103)104)86-69(96)56(36-47(7)8)84-71(98)58(38-51-23-19-16-20-24-
• InChIKey: QKHQSJXYZXHCKS-GSDHCUKSSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 1653.7°C at 760 mmHg (Cal.)
• Flash point: 953.9°C (Cal.)