Cinnamycin
[CAS# 1405-39-6]

Identification

• Name: Cinnamycin
• Synonyms: Lysine, Cysteinylarginylglutaminylcysteinylcysteinylphenylalanylphenylalanylglycylprolyl-3-Aminoalanyl-3-Mercapto-2-Aminobutanoylphenylalanylvalylcysteinyl-3-Hydroxy-Alpha-Aspartylglycylasparaginyl-3-Mercapto-2-Aminobutanoyl-, Cyclic (1-18),(4-14), (5-11)-Tris(Sulfide), Cyclic (10-19)-Imine; Nsc 71936; Nsc-71936
• Molecular Formula: C₈₉H₁₂₅N₂₅O₂₅S₃
• Molecular Weight: 2041.30
• CAS Registry Number: 1405-39-6 (110655-58-8)
• SMILES: [C@H]13N(CCC1)C(CNC([C@H](CC2=CC=CC=C2)NC([C@H]6NC([C@@H]7CSC([C@H](NC([C@@H](NC3=O)CC4=CC=CC=C4)=O)C(N[C@@H](CC5=CC=CC=C5)C(N[C@H](C(N[C@@H]8C(N[C@H](C(NCC(N[C@H](C(NC(C(N[C@@H](CCCCNC6)C(O)=O)=O)[C@H](SC[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N7)=O)CSC8)=O)CCC(N)=O)=O)CCCNC(N)=N)=O)N)C)=O)CC(N)=O)=O)=O)[C@H](C(O)=O)O)=O)=O)C(C)C)=O)=O)C)=O)=O)=O)=O
• InChI: 1S/C89H125N25O25S3/c1-43(2)66-84(133)109-59-41-140-40-58-79(128)108-60-42-142-45(4)68(86(135)105-55(75(124)110-66)34-48-22-12-7-13-23-48)111-76(125)54(33-47-20-10-6-11-21-47)104-82(131)61-26-17-31-114(61)65(118)38-98-72(121)53(32-46-18-8-5-9-19-46)103-78(127)57(106-80(60)129)36-95-29-15-14-24-52(87(136)137)102-85(134)67(112-77(126)56(35-63(92)116)99-64(117)37-97-83(132)69(113-81(59)130)70(119)88(138)139)44(3)141-39-49(90)71(120)100-50(25-16-30-96-89(93)94)73(122)101-51(74(123)107-58)27-28-62(91)115/h5-13,18-23,43-45,49-61,66-70,95,119H,14-17,24-42,90H2,1-4H3,(H2,91,115)(H2,92,116)(H,97,132)(H,98,121)(H,99,117)(H,100,120)(H,101,122)(H,102,134)(H,103,127)(H,104,131)(H,105,135)(H,106,129)(H,107,123)(H,108,128)(H,109,133)(H,110,124)(H,111,125)(H,112,126)(H,113,130)(H,136,137)(H,138,139)(H4,93,94,96)/t44-,45?,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,66+,67?,68+,69+,70-/m1/s1
• InChIKey: QJDWKBINWOWJNZ-IDGBIKHQSA-N

Properties

• Density: 1.593g/cm³ (Cal.)