BGC > Product Search > DABCYL-Lys-HCoV-SARS Replicase polyprotein 1ab (3235-3246)-Glu-EDANS | 730985-86-1
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DABCYL-Lys-HCoV-SARS Replicase polyprotein 1ab (3235-3246)-Glu-EDANS
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Properties | | CAS |
730985-86-1 | | Formula |
C95H141N25O24S2 |
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3 Registered suppliers
Molecular Formula: C95H141N25O24S2
Molecular Weight: 2081.42
- Molecular Weight :2081.42
Molecular Formula : C95H141N25O24S2 Canonical SMILES : CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C4=CC=C(C=C4)N=NC5=CC=C(C=C5)N(C)C.C(=O)(C(F)(F)F)O
InChI :
InChI=1S/C95H141N25O24S2.C2HF3O2/c1-53(2)48-71(113-93(140)79(54(3)4)116-81(128)55(5)105-92(139)74(52-122)115-94(141)80(56(6)123)117-89(136)66(25-14-16-43-97)107-82(129)58-29-31-59(32-30-58)118-119-60-33-35-61(36-34-60)120(7)8)90(137)111-69(37-39-76(98)124)87(134)114-73(51-121)84(131)104-50-77(125)106-72(49-57-20-11-10-12-21-57)91(138)109-67(27-19-44-103-95(99)100)86(133)108-65(24-13-15-42-96)85(132)112-70(41-47-145-9)88(135)110-68(38-40-78(126)127)83(130)102-46-45-101-64-26-17-23-63-62(64)22-18-28-75(63)146(142,143)144;3-2(4,5)1(6)7/h10-12,17-18,20-23,26,28-36,53-56,65-74,79-80,101,121-123H,13-16,19,24-25,27,37-52,96-97H2,1-9H3,(H2,98,124)(H,102,130)(H,104,131)(H,105,139)(H,106,125)(H,107,129)(H,108,133)(H,109,138)(H,110,135)(H,111,137)(H,112,132)(H,113,140)(H,114,134)(H,115,141)(H,116,128)(H,117,136)(H,126,127)(H4,99,100,103)(H,142,143,144);(H,6,7)/t55-,56+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-;/m0./s1
InChIKey :
CEVTYCZVZYWVFB-LWSZPLOGSA-N
Synonyms :
DABCYL-Lys-pp1ab (3235-3246)-Glu-EDANS (Human coronavirus) (strain SARS); DABCYL-Lys-ORF1AB (3235-3246)-Glu-EDANS (Human coronavirus) (strain SARS)
More details are to be found here
- Molecular Weight :2081.42
Molecular Formula : C95H141N25O24S2 Canonical SMILES : CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CO)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C4=CC=C(C=C4)N=NC5=CC=C(C=C5)N(C)C.C(=O)(C(F)(F)F)O
InChI :
InChI=1S/C95H141N25O24S2.C2HF3O2/c1-53(2)48-71(113-93(140)79(54(3)4)116-81(128)55(5)105-92(139)74(52-122)115-94(141)80(56(6)123)117-89(136)66(25-14-16-43-97)107-82(129)58-29-31-59(32-30-58)118-119-60-33-35-61(36-34-60)120(7)8)90(137)111-69(37-39-76(98)124)87(134)114-73(51-121)84(131)104-50-77(125)106-72(49-57-20-11-10-12-21-57)91(138)109-67(27-19-44-103-95(99)100)86(133)108-65(24-13-15-42-96)85(132)112-70(41-47-145-9)88(135)110-68(38-40-78(126)127)83(130)102-46-45-101-64-26-17-23-63-62(64)22-18-28-75(63)146(142,143)144;3-2(4,5)1(6)7/h10-12,17-18,20-23,26,28-36,53-56,65-74,79-80,101,121-123H,13-16,19,24-25,27,37-52,96-97H2,1-9H3,(H2,98,124)(H,102,130)(H,104,131)(H,105,139)(H,106,125)(H,107,129)(H,108,133)(H,109,138)(H,110,135)(H,111,137)(H,112,132)(H,113,140)(H,114,134)(H,115,141)(H,116,128)(H,117,136)(H,126,127)(H4,99,100,103)(H,142,143,144);(H,6,7)/t55-,56+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-;/m0./s1
InChIKey :
CEVTYCZVZYWVFB-LWSZPLOGSA-N
Synonyms :
DABCYL-Lys-pp1ab (3235-3246)-Glu-EDANS (Human coronavirus) (strain SARS); DABCYL-Lys-ORF1AB (3235-3246)-Glu-EDANS (Human coronavirus) (strain SARS)
More details are to be found here
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