Pnc-28
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Product Description
Product
Pnc-28
CAS
392661-17-5
Formula
C164H255N47O37S
Typical Product Specifications
InChI
InChI=1S/C164H255N47O37S/c1-87(2)72-116(199-149(236)117(73-88(3)4)198-141(228)109(51-28-33-66-168)193-154(241)122(78-96-83-184-103-46-23-20-43-99(96)103)203-150(237)118(74-89(5)6)200-156(243)125(81-131(219)220)206-158(245)126(86-212)208-152(239)120(76-94-40-17-14-18-41-94)207-161(248)135(92(11)213)211-136(223)101(170)56-61-130(217)218)148(235)191-106(48-25-30-63-165)138(225)188-108(50-27-32-65-167)142(229)202-121(77-95-82-183-102-45-22-19-42-98(95)102)153(240)192-107(49-26-31-64-166)139(226)195-115(62-71-249-12)146(233)190-111(54-36-69-181-163(176)177)140(227)189-112(55-37-70-182-164(178)179)143(230)205-124(80-129(173)216)155(242)194-113(57-59-127(171)214)145(232)201-119(75-93-38-15-13-16-39-93)151(238)204-123(79-97-84-185-104-47-24-21-44-100(97)104)157(244)210-134(91(9)10)159(246)196-110(52-29-34-67-169)147(234)209-133(90(7)8)160(247)197-114(58-60-128(172)215)144(231)187-105(53-35-68-180-162(174)175)137(224)186-85-132(221)222/h13-24,38-47,82-84,87-92,101,105-126,133-135,183-185,212-213H,25-37,48-81,85-86,165-170H2,1-12H3,(H2,171,214)(H2,172,215)(H2,173,216)(H,186,224)(H,187,231)(H,188,225)(H,189,227)(H,190,233)(H,191,235)(H,192,240)(H,193,241)(H,194,242)(H,195,226)(H,196,246)(H,197,247)(H,198,228)(H,199,236)(H,200,243)(H,201,232)(H,202,229)(H,203,237)(H,204,238)(H,205,230)(H,206,245)(H,207,248)(H,208,239)(H,209,234)(H,210,244)(H,211,223)(H,217,218)(H,219,220)(H,221,222)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t92-,101+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,133+,134+,135+/m1/s1
InChIKey
OLBRWDOLLRHNOA-VSMYOHOGSA-N
SMILES
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)N
Molecular weight
3509.196 g/mol
Class
Pnc-28
Product Description
Product
Pnc-28
CAS
392661-17-5
Formula
C164H255N47O37S
Typical Product Specifications
InChI
InChI=1S/C164H255N47O37S/c1-87(2)72-116(199-149(236)117(73-88(3)4)198-141(228)109(51-28-33-66-168)193-154(241)122(78-96-83-184-103-46-23-20-43-99(96)103)203-150(237)118(74-89(5)6)200-156(243)125(81-131(219)220)206-158(245)126(86-212)208-152(239)120(76-94-40-17-14-18-41-94)207-161(248)135(92(11)213)211-136(223)101(170)56-61-130(217)218)148(235)191-106(48-25-30-63-165)138(225)188-108(50-27-32-65-167)142(229)202-121(77-95-82-183-102-45-22-19-42-98(95)102)153(240)192-107(49-26-31-64-166)139(226)195-115(62-71-249-12)146(233)190-111(54-36-69-181-163(176)177)140(227)189-112(55-37-70-182-164(178)179)143(230)205-124(80-129(173)216)155(242)194-113(57-59-127(171)214)145(232)201-119(75-93-38-15-13-16-39-93)151(238)204-123(79-97-84-185-104-47-24-21-44-100(97)104)157(244)210-134(91(9)10)159(246)196-110(52-29-34-67-169)147(234)209-133(90(7)8)160(247)197-114(58-60-128(172)215)144(231)187-105(53-35-68-180-162(174)175)137(224)186-85-132(221)222/h13-24,38-47,82-84,87-92,101,105-126,133-135,183-185,212-213H,25-37,48-81,85-86,165-170H2,1-12H3,(H2,171,214)(H2,172,215)(H2,173,216)(H,186,224)(H,187,231)(H,188,225)(H,189,227)(H,190,233)(H,191,235)(H,192,240)(H,193,241)(H,194,242)(H,195,226)(H,196,246)(H,197,247)(H,198,228)(H,199,236)(H,200,243)(H,201,232)(H,202,229)(H,203,237)(H,204,238)(H,205,230)(H,206,245)(H,207,248)(H,208,239)(H,209,234)(H,210,244)(H,211,223)(H,217,218)(H,219,220)(H,221,222)(H4,174,175,180)(H4,176,177,181)(H4,178,179,182)/t92-,101+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,133+,134+,135+/m1/s1
InChIKey
OLBRWDOLLRHNOA-VSMYOHOGSA-N
SMILES
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)N
Molecular weight
3509.196 g/mol
Class
