Azidophenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-threonin-ol
[CAS# 141949-00-0]

Identification

• Name: Azidophenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-threonin-ol
• Synonyms: Azidophenylalanyl-Cysteinyl-Tyrosyl-Tryptophyl-Lysyl-Threonyl-Cysteinyl-Threonin-Ol; Ee 581; Ee-581
• Molecular Formula: C₄₉H₆₅N₁₃O₁₁S₂
• Molecular Weight: 1076.25
• CAS Registry Number: 141949-00-0
• SMILES: [N+](=NC5=CC=C(C[C@@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC12S[C@H]1NC3=CC=CC=C23)C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=O)[C@@H](NC(C(O)C)CO)CS)[C@H](O)C)CCCC=N)CC4=CC=C(O)C=C4)C)C=C5)=[N-]
• InChI: 1S/C49H65N13O11S2/c1-25(53-42(68)33(51)20-28-11-15-30(16-12-28)61-62-52)41(67)56-36(21-29-13-17-31(66)18-14-29)44(70)57-37(22-49-32-8-4-5-9-34(32)58-48(49)75-49)45(71)55-35(10-6-7-19-50)43(69)59-40(27(3)65)47(73)60-46(72)39(24-74)54-38(23-63)26(2)64/h4-5,8-9,11-19,25-27,33,35-40,48,50,54,58,63-66,74H,6-7,10,20-24,51H2,1-3H3,(H,53,68)(H,55,71)(H,56,67)(H,57,70)(H,59,69)(H,60,72,73)/t25-,26?,27+,33+,35-,36-,37+,38?,39-,40-,48+,49?/m0/s1
• InChIKey: UMMVUDFAAZGEKC-LOWOIFONSA-N