(TYR0)-ATRIOPEPTIN II (RAT)


CAS No. : 117856-13-0

(TYR0)-ATRIOPEPTIN II (RAT),117856-13-0
Product Details
Cat No:M016374
Molecular Formula:C107H165N35O34S2
Molecular Weight:2549.828
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Cat No:M016374
Cas No:117856-13-0
Product-Name:(TYR0)-ATRIOPEPTIN II (RAT)
InChI:InChI=1S/C107H165N35O34S2/c1-8-53(5)84-102(173)124-43-79(151)125-55(7)86(157)129-63(30-31-76(109)148)91(162)137-70(46-143)90(161)123-44-81(153)127-65(35-52(3)4)88(159)122-45-82(154)128-74(100(171)134-68(39-77(110)149)95(166)138-72(48-145)97(168)133-67(38-57-21-14-11-15-22-57)94(165)131-64(104(175)176)25-18-34-119-107(115)116)50-177-178-51-75(140-99(170)73(49-146)139-98(169)71(47-144)136-87(158)60(108)36-58-26-28-59(147)29-27-58)101(172)132-66(37-56-19-12-10-13-20-56)89(160)121-41-78(150)120-42-80(152)126-61(23-16-32-117-105(111)112)92(163)142-85(54(6)9-2)103(174)135-69(40-83(155)156)96(167)130-62(93(164)141-84)24-17-33-118-106(113)114/h10-15,19-22,26-29,52-55,60-75,84-85,143-147H,8-9,16-18,23-25,30-51,108H2,1-7H3,(H2,109,148)(H2,110,149)(H,120,150)(H,121,160)(H,122,159)(H,123,161)(H,124,173)(H,125,151)(H,126,152)(H,127,153)(H,128,154)(H,129,157)(H,130,167)(H,131,165)(H,132,172)(H,133,168)(H,134,171)(H,135,174)(H,136,158)(H,137,162)(H,138,166)(H,139,169)(H,140,170)(H,141,164)(H,142,163)(H,155,156)(H,175,176)(H4,111,112,117)(H4,113,114,118)(H4,115,116,119)/t53-,54-,55-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,84-,85-/m0/s1
InChIKey:OBUBWVNSCSVBEV-GWLSAQFNSA-N
SMILES:CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC(=O)O)C(C)CC)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC3=CC=C(C=C3)O)N)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCNC(=N)N)C(=O)O)CC(C)C)CO)CCC(=O)N)C
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