L-cysteinyl-L-tyrosyl-L-alanyl-L-alanyl-L-prolyl-L-leucyl-L-lysyl-L-prolyl-L-alanyl-L-lysyl-L-seryl-L-Cysteine cyclic (1-12)-disulfide
[CAS# 147819-32-7]

Identification

• Name: L-cysteinyl-L-tyrosyl-L-alanyl-L-alanyl-L-prolyl-L-leucyl-L-lysyl-L-prolyl-L-alanyl-L-lysyl-L-seryl-L-Cysteine cyclic (1-12)-disulfide
• Molecular Formula: C₅₅H₈₈N₁₄O₁₅S₂
• Molecular Weight: 1249.51
• CAS Registry Number: 147819-32-7
• SMILES: [C@H](NC(=O)[C@@H](N)C)(CC13SC1C2SC2(O)C=C3)C(=O)N[C@H](C(=O)N[C@H](C(=O)N5[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C=O)CCCCN)C)CCC4)CCCCN)CC(C)C)CCC5)C)C
• InChI: 1S/C55H88N14O15S2/c1-27(2)24-35(65-50(79)39-17-12-22-68(39)51(80)31(6)61-43(72)29(4)59-47(76)36(66-42(71)28(3)58)25-54-18-19-55(84)41(86-55)40(54)85-54)46(75)64-34(15-9-11-21-57)52(81)69-23-13-16-38(69)49(78)60-30(5)44(73)63-33(14-8-10-20-56)45(74)67-37(26-70)48(77)62-32(7)53(82)83/h18-19,26-41,84H,8-17,20-25,56-58H2,1-7H3,(H,59,76)(H,60,78)(H,61,72)(H,62,77)(H,63,73)(H,64,75)(H,65,79)(H,66,71)(H,67,74)(H,82,83)/t28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40?,41?,54?,55?/m0/s1
• InChIKey: CWDBKYUARDUIEM-KTQAENQISA-N

Properties

• Density: 1.35g/cm³ (Cal.)
• Boiling point: 1579.528°C at 760 mmHg (Cal.)
• Flash point: 909.066°C (Cal.)