N-acetyl-L-cysteinyl-L-a-glutamyl-L-histidyl-3-(2-naphthalenyl)-D-alanyl-L-arginyl-L-tryptophylglycyl-L-cysteinyl-L-prolyl-L-prolyl-L-lysyl-L-a-Asparagine cyclic (1->8)-disulfide
[CAS# 207678-81-7]

Identification

• Name: N-acetyl-L-cysteinyl-L-a-glutamyl-L-histidyl-3-(2-naphthalenyl)-D-alanyl-L-arginyl-L-tryptophylglycyl-L-cysteinyl-L-prolyl-L-prolyl-L-lysyl-L-a-Asparagine cyclic (1->8)-disulfide
• Synonyms: HS 014
• Molecular Formula: C₇₁H₉₄N₂₀O₁₇S₂
• Molecular Weight: 1563.76
• CAS Registry Number: 207678-81-7
• SMILES: CC(=O)N[C@H]1CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)CC2=CNC=N2)CC3=CC4=CC=CC=C4C=C3)CCCNC(=N)N)CC5=CNC6=CC=CC=C65)C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N
• InChI: 1S/C71H94N20O17S2/c1-38(92)81-53-35-109-110-36-54(69(107)91-26-10-18-56(91)70(108)90-25-9-17-55(90)68(106)85-46(15-6-7-23-72)62(100)86-49(60(73)98)31-59(96)97)82-57(93)34-79-61(99)51(29-42-32-78-45-14-5-4-13-44(42)45)88-63(101)47(16-8-24-77-71(74)75)83-65(103)50(28-39-19-20-40-11-2-3-12-41(40)27-39)87-66(104)52(30-43-33-76-37-80-43)89-64(102)48(84-67(53)105)21-22-58(94)95/h2-5,11-14,19-20,27,32-33,37,46-56,78H,6-10,15-18,21-26,28-31,34-36,72H2,1H3,(H2,73,98)(H,76,80)(H,79,99)(H,81,92)(H,82,93)(H,83,103)(H,84,105)(H,85,106)(H,86,100)(H,87,104)(H,88,101)(H,89,102)(H,94,95)(H,96,97)(H4,74,75,77)/t46-,47-,48-,49-,50+,51-,52-,53-,54-,55-,56-/m0/s1
• InChIKey: BRGDPINZISNYJL-VMAVSDBDSA-N
• Protein Sequence: Ac-Cys-Glu-His-D-2-Nal-Arg-Trp-Gly-Cys-Pro-Pro-Lys-Asp-NH2

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Refractive index: 1.73 (Cal.)
• solubility: Soluble to 1 mg/ml in water