Cyclo(L-Asn-L-Gln-L-Tyr-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Trp-D-Phe)
[CAS# 865-28-1]

Identification

• Name: Cyclo(L-Asn-L-Gln-L-Tyr-L-Val-L-Orn-L-Leu-D-Phe-L-Pro-L-Trp-D-Phe)
• Synonyms: Tyrocidine B, Hydrochloride; 9-L-Tryptophantrycodine A Hydrochloride; Trycodine A, 9-L-Tryptophan-, Hydrochloride (9Ci)
• Molecular Formula: C₆₈H₈₈N₁₄O₁₃
• Molecular Weight: 1309.53
• CAS Registry Number: 865-28-1
• SMILES: [C@@H](C=O)(NC([C@@H](NC([C@H]1N(CCC1)C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CC(=O)N)=O)CCC(=O)N)=O)CC2=CC=C(O)C=C2)=O)C(C)C)=O)CCC=N)=O)CC(C)C)=O)CC3=CC=CC=C3)=O)=O)CC4=C[NH]C5=CC=CC=C45)=O)CC6=CC=CC=C6
• InChI: 1S/C68H88N14O13/c1-39(2)31-52(77-61(88)50(21-13-29-69)76-67(94)59(40(3)4)81-65(92)53(33-43-23-25-46(84)26-24-43)78-62(89)51(27-28-57(71)85)75-60(87)48(70)36-58(72)86)64(91)80-55(34-42-17-9-6-10-18-42)68(95)82-30-14-22-56(82)66(93)79-54(35-44-37-73-49-20-12-11-19-47(44)49)63(90)74-45(38-83)32-41-15-7-5-8-16-41/h5-12,15-20,23-26,29,37-40,45,48,50-56,59,69,73,84H,13-14,21-22,27-28,30-36,70H2,1-4H3,(H2,71,85)(H2,72,86)(H,74,90)(H,75,87)(H,76,94)(H,77,88)(H,78,89)(H,79,93)(H,80,91)(H,81,92)/t45-,48+,50+,51+,52+,53+,54+,55-,56+,59+/m1/s1
• InChIKey: NDJYENMAQGLFEW-JTACUPKNSA-N

Properties

• Density: 1.377g/cm³ (Cal.)