16alpha-L-Leucine-2-16-alpha-Endorphin (Sheep)
[CAS# 67810-56-4]

Identification

• Name: 16alpha-L-Leucine-2-16-alpha-Endorphin (Sheep)
• Synonyms: 1-De-L-Tyrosine-16A-L-Leucine-Alpha-Endorphin (Sheep); 1-De-Tyr-Gamma-Endorphin; Dtgammae
• Molecular Formula: C₇₄H₁₂₂N₁₈O₂₅S
• Molecular Weight: 1695.94
• CAS Registry Number: 67810-56-4
• SMILES: [C@@H]2(N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)CC1=CC=CC=C1)CCSC)[C@H](O)C)CO)CCC(=O)O)CCCCN)CO)CCC(=O)N)[C@H](O)C)CCC2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)[C@H](O)C)C(C)C)CC(C)C
• InChI: 1S/C74H122N18O25S/c1-36(2)29-47(66(108)88-57(38(5)6)70(112)90-59(40(8)96)71(113)85-49(74(116)117)30-37(3)4)84-69(111)52-20-16-27-92(52)73(115)60(41(9)97)91-63(105)44(21-23-53(77)98)81-67(109)50(34-93)86-61(103)43(19-14-15-26-75)80-62(104)45(22-24-56(101)102)82-68(110)51(35-94)87-72(114)58(39(7)95)89-64(106)46(25-28-118-10)83-65(107)48(31-42-17-12-11-13-18-42)79-55(100)33-78-54(99)32-76/h11-13,17-18,36-41,43-52,57-60,93-97H,14-16,19-35,75-76H2,1-10H3,(H2,77,98)(H,78,99)(H,79,100)(H,80,104)(H,81,109)(H,82,110)(H,83,107)(H,84,111)(H,85,113)(H,86,103)(H,87,114)(H,88,108)(H,89,106)(H,90,112)(H,91,105)(H,101,102)(H,116,117)/t39-,40-,41-,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,57+,58+,59+,60+/m1/s1
• InChIKey: YQEWLSJJOSZFHG-DSFKZNPVSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 2014.8°C at 760 mmHg (Cal.)
• Flash point: 1172.308°C (Cal.)