nisin A
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INCHI InChI :INCHI InChI=1/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222)/b82-27-
印地 Std.InChI: INCHI InChI=1S/C143H230N42O37S7/c1-24-69(11)105(148)135(213)162-82(27-4)118(196)174-94-58-225-59-95(175-123(201)89(48-67(7)8)169-115(193)74(16)158-138(216)107(70(12)25-2)180-132(94)210)133(211)184-112-79(21)229-61-96(160-104(190)56-152-134(212)100-38-34-44-185(100)142(112)220)128(206)164-84(36-29-32-42-145)120(198)182-109-76(18)226-60-97(161-103(189)55-151-117(195)85(39-45-223-22)165-122(200)88(47-66(5)6)168-113(191)72(14)156-102(188)54-153-136(109)214)129(207)171-92(51-101(147)187)125(203)166-86(40-46-224-23)119(197)163-83(35-28-31-41-144)121(199)183-110-77(19)228-63-99-130(208)170-90(49-80-52-149-64-154-80)124(202)176-98(62-227-78(20)111(141(219)177-99)181-116(194)75(17)159-140(110)218)131(209)173-93(57-186)127(205)179-108(71(13)26-3)139(217)172-91(50-81-53-150-65-155-81)126(204)178-106(68(9)10)137(215)157-73(15)114(192)167-87(143(221)222)37-30-33-43-146/h27,52-53,64-72,75-79,83-100,105-112,186H,15-16,24-26,28-51,54-63,144-146,148H2,1-14,17-23H3,(H2,147,187)(H,149,154)(H,150,155)(H,151,195)(H,152,212)(H,153,214)(H,156,188)(H,157,215)(H,158,216)(H,159,218)(H,160,190)(H,161,189)(H,162,213)(H,163,197)(H,164,206)(H,165,200)(H,166,203)(H,167,192)(H,168,191)(H,169,193)(H,170,208)(H,171,207)(H,172,217)(H,173,209)(H,174,196)(H,175,201)(H,176,202)(H,177,219)(H,178,204)(H,179,205)(H,180,210)(H,181,194)(H,182,198)(H,183,199)(H,184,211)(H,221,222)/b82-27-
INCHI基 InChIKey :NVNLLIYOARQCIX-GSJOZIGCBL
标准奇奇 Std.InChIKey: NVNLLIYOARQCIX-GSJOZIGCSA-N
微笑 SMILES :抄送 cc CCC(C)C1C(= o =O)数控 NC(= c =C)C(= o =O)数控 NC(C(= o =O)数控 NC(cscc Cscc Scc CC(C(= o =O)N1)数控 NC(= o =O)/C(= c =C/C)/数控 NC(= o =O)C(C(C)cc CC)N)C(= o =O)数控 NC2C(scc Scc CC(数控 NC(= o =O)cnc C数控 NC(= o =O)C3抄送 cc CCCN3C2= o =O)C(= o =O)数控 NC(ccccn 抄送 cc CCcc CCN)C(= o =O)数控 NC4C(scc Scc CC(数控 NC(= o =O)cnc C数控 NC(= o =O)C(数控 NC(= o =O)C(数控 NC(= o =O)C(数控 NC(= o =O)cnc C数控 NC4= o =O)C)cc CC(C)C)ccsc Ccsc CSC)C(= o =O)数控 NC(cc CC(= o =O)N)C(= o =O)数控 NC(ccsc Ccsc CSC)C(= o =O)数控 NC(ccccn 抄送 cc CCcc CCN)C(= o =O)数控 NC5C(scc Scc CC6C(= o =O)数控 NC(C(= o =O)数控 NC(csc CSC(C(C(= o =O)N6)数控 NC(= o =O)C(数控 NC5= o =O)C)C)C(= o =O)数控 NC(co CO)C(= o =O)数控 NC(C(C)cc CC)C(= o =O)数控 NC(cc CC7= c =CN= c =CN7)C(= o =O)数控 NC(C(C)C)C(= o =O)数控 NC(= c =C)C(= o =O)数控 NC(ccccn 抄送 cc CCcc CCN)C(= o =O)O)cc CC8= c =CN= c =CN8)C)C)C)cc CC(C)C
MDL : mfcd00131724 MFCD00131724
磨牙 Molar 折射率 Refractivity :857.10 ± 0.4 cm3 (估 est)
Parachor :7142.7 ± 6.0 cm3 (估 est)
折射率 Index of Refraction :1.635 ± 0.03 (估 est)
表面张力 Surface Tension :79.4 ± 5.0 dyne/cm (估 est)
密度 Density :1.40 ± 0.1 g/cm3 (估 est)
极化率 Polarizability :339.78 ± 0.5 10-24cm3 (估 est)