nisin
Chemical Formula:
C143H234N42O37S7
Molecular Weight:
3358.101 Daltons
Monoisotopic Mass:
3356.5843266096 Daltons
SMILES:
CCC(C)C(C(NC(=CC)C(NC1(C(NC(C(NC(=C)C(NC(CC(C)C)C(NC(CSC1)C(NC7(C(C)SCC(C(NC(C(NC6(C(NCC(NC(C)C(NC(C(NC(CCSC)C(NCC(NC(C(NC(C(NC(C(NC(C(NC5(C(NC(C)C(NC4(C(NC(C(NC(CC2(=C[N+]=CN2))C(NC(C(NC(CO)C(NC(C(NC(C(NC(C(NC(=C)C(NC(C(=O)[O-])CCCC[N+])=O)=O)C(C)C)=O)CC3(=CN=CN3))=O)C(C)CC)=O)=O)CSC(C)4)=O)=O)CSC(C)5)=O))=O)=O))=O)CCCC[N+])=O)CCSC)=O)CC(N)=O)=O)CSC(C)6)=O)=O)=O)CC(C)C)=O)=O)=O))=O)CCCC[N+])=O)NC(CNC(C8(CCCN(C7=O)8))=O)=O))=O)=O)=O)=O)C(C)CC)=O))=O)=O)[N+]
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)/p+4/b82-27-
InChIKey:
Databases
MetaCyc:
CPD-12301
PubChem (CID):
46173386