Product Name：
Lys-CoA-tat
Other Names： Lys-coa-tat；NSC746619；NSC-746619
CAS：872702-36-8
Other Names： Lys-coa-tat；NSC746619；NSC-746619
CAS：872702-36-8
Structural Information
| Molecular Formula | C95H168N41O33P3S | Molecular Weight | 2537.59 | ||
| IUPAC Name | 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-6-[[2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]acetyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid | ||||
| InChIKey | HACJGFKRDXAILR-IRQUQUKTSA-N | ||||
| InChI | InChI=1S/C95H168N41O33P3S/c1-51(137)125-54(18-6-9-34-112-69(142)47-173-43-42-113-67(140)31-41-114-86(155)73(144)95(2,3)48-166-172(163,164)169-171(161,162)165-46-65-72(168-170(158,159)160)71(143)87(167-65)136-50-124-70-74(99)122-49-123-75(70)136)77(146)135-64(44-52-25-27-53(138)28-26-52)76(145)121-45-68(141)126-55(19-10-35-115-89(100)101)78(147)127-56(16-4-7-32-96)79(148)128-57(17-5-8-33-97)80(149)129-58(20-11-36-116-90(102)103)81(150)130-60(22-13-38-118-92(106)107)83(152)133-62(29-30-66(98)139)85(154)132-59(21-12-37-117-91(104)105)82(151)131-61(23-14-39-119-93(108)109)84(153)134-63(88(156)157)24-15-40-120-94(110)111/h25-28,49-50,54-65,71-73,87,138,143-144H,4-24,29-48,96-97H2,1-3H3,(H2,98,139)(H,112,142)(H,113,140)(H,114,155)(H,121,145)(H,125,137)(H,126,141)(H,127,147)(H,128,148)(H,129,149)(H,130,150)(H,131,151)(H,132,154)(H,133,152)(H,134,153)(H,135,146)(H,156,157)(H,161,162)(H,163,164)(H2,99,122,123)(H4,100,101,115)(H4,102,103,116)(H4,104,105,117)(H4,106,107,118)(H4,108,109,119)(H4,110,111,120)(H2,158,159,160)/t54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65-,71-,72-,73+,87-/m1/s1 | ||||
| SMILES | CC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O | ||||
