L-seryl-L-prolyl-L-alanyl-L-asparaginyl-L-alanyl-L-glutaminyl-L-isoleucyl-L-threonyl-L-arginyl-L-lysyl-L-arginyl-L-histidyl-L-lysyl-L-isoleucyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-Methioninamide
[CAS# 133950-47-7]

Identification

• Name: L-seryl-L-prolyl-L-alanyl-L-asparaginyl-L-alanyl-L-glutaminyl-L-isoleucyl-L-threonyl-L-arginyl-L-lysyl-L-arginyl-L-histidyl-L-lysyl-L-isoleucyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-Methioninamide
• Synonyms: C2055_Sigma; Ser-Pro-Ala-Asn-Ala-Gln-Ile-Thr-Arg-Lys-Arg-His-Lys-Ile-Asn-Ser-Phe-Val-Gly-Leu-Met-Nh2
• Molecular Formula: C₁₀₃H₁₇₅N₃₅O₂₇S
• Molecular Weight: 2367.79
• CAS Registry Number: 133950-47-7
• SMILES: C1=C([NH]C=N1)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(N)CO)CCC2)C)CC(=O)N)C)CCC(=O)N)C(CC)C)C(O)C)CCCNC(=N)N)CCCCN)CCCNC(=N)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N)CCSC)CC(C)C)C(C)C)CC3=CC=CC=C3)CO)CC(=O)N)C(CC)C)CCCCN
• InChI: 1S/C103H175N35O27S/c1-13-53(7)79(98(162)132-71(45-76(109)144)93(157)133-72(49-140)95(159)130-68(42-58-25-16-15-17-26-58)94(158)134-78(52(5)6)97(161)118-47-77(145)122-67(41-51(3)4)91(155)123-61(82(110)146)34-40-166-12)135-88(152)63(28-19-21-36-105)127-92(156)69(43-59-46-115-50-119-59)131-87(151)64(29-22-37-116-102(111)112)126-85(149)62(27-18-20-35-104)125-86(150)65(30-23-38-117-103(113)114)128-100(164)81(57(11)141)137-99(163)80(54(8)14-2)136-89(153)66(32-33-74(107)142)124-83(147)55(9)120-90(154)70(44-75(108)143)129-84(148)56(10)121-96(160)73-31-24-39-138(73)101(165)60(106)48-139/h15-17,25-26,46,50-57,60-73,78-81,139-141H,13-14,18-24,27-45,47-49,104-106H2,1-12H3,(H2,107,142)(H2,108,143)(H2,109,144)(H2,110,146)(H,115,119)(H,118,161)(H,120,154)(H,121,160)(H,122,145)(H,123,155)(H,124,147)(H,125,150)(H,126,149)(H,127,156)(H,128,164)(H,129,148)(H,130,159)(H,131,151)(H,132,162)(H,133,157)(H,134,158)(H,135,152)(H,136,153)(H,137,163)(H4,111,112,116)(H4,113,114,117)
• InChIKey: VXMDZQYTUMGZBS-UHFFFAOYSA-N