Nisin Z (~80%) Hydrochloride

Analyte Name

Nisin Z Hydrochloride

Molecular Formula

C141 H229 N41 O38 S7 . x(HCl)

Molecular Weight

3331.033646

SMILES

O=C(O)[C@@H](NC(C(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1NC([C@H](CC(N)=O)NC([C@]2([H])CS[C@@H](C)[C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@H](CCSC)NC([C@H](CC(C)C)NC([C@H](C)NC(CN3)=O)=O)=O)=O)=O)CS[C@@H](C)[C@@H](NC([C@@H](NC([C@@H](NC(CN4)=O)CS[C@@H](C)[C@@H](NC([C@@H](NC([C@H](CC(C)C)NC(C(NC([C@H]([C@H](CC)C)N5)=O)=C)=O)=O)CSC[C@@H](NC(/C(NC([C@@H](N)[C@@H](C)CC)=O)=C/C)=O)C5=O)=O)C(N6CCC[C@@]6([H])C4=O)=O)=O)CCCCN)=O)C3=O)=O)CC(N)=O)=O)CCSC)=O)CCCCN)=O)C(N[C@@H](C)C(N[C@](C(N2)=O)([H])[C@H](C)SC1)=O)=O)=O)=O)=O)CO)=O)[C@@H](C)CC)=O)CC7=CN=CN7)=O)C(C)C)=O)=C)=O)CCCCN.Cl

InChI

InChI=1S/C141H229N41O38S7.ClH/c1-24-67(11)103(147)133(211)159-79(27-4)116(194)171-91-57-223-58-92(172-121(199)86(48-65(7)8)166-113(191)72(16)155-136(214)105(68(12)25-2)177-130(91)208)131(209)181-110-77(21)227-60-93(157-102(188)55-150-132(210)97-38-34-44-182(97)140(110)218)126(204)161-81(36-29-32-42-143)118(196)179-107-74(18)224-59-94(158-101(187)54-149-115(193)82(39-45-221-22)162-120(198)85(47-64(5)6)165-111(189)70(14)153-100(186)53-151-134(107)212)127(205)167-88(50-98(145)184)122(200)163-83(40-46-222-23)117(195)160-80(35-28-31-41-142)119(197)180-108-75(19)226-62-96-128(206)168-89(51-99(146)185)123(201)173-95(61-225-76(20)109(139(217)174-96)178-114(192)73(17)156-138(108)216)129(207)170-90(56-183)125(203)176-106(69(13)26-3)137(215)169-87(49-78-52-148-63-152-78)124(202)175-104(66(9)10)135(213)154-71(15)112(190)164-84(141(219)220)37-30-33-43-144;/h27,52,63-70,73-77,80-97,103-110,183H,15-16,24-26,28-51,53-62,142-144,147H2,1-14,17-23H3,(H2,145,184)(H2,146,185)(H,148,152)(H,149,193)(H,150,210)(H,151,212)(H,153,186)(H,154,213)(H,155,214)(H,156,216)(H,157,188)(H,158,187)(H,159,211)(H,160,195)(H,161,204)(H,162,198)(H,163,200)(H,164,190)(H,165,189)(H,166,191)(H,167,205)(H,168,206)(H,169,215)(H,170,207)(H,171,194)(H,172,199)(H,173,201)(H,174,217)(H,175,202)(H,176,203)(H,177,208)(H,178,192)(H,179,196)(H,180,197)(H,181,209)(H,219,220);1H/b79-27-;/t67-,68-,69-,70-,73-,74-,75-,76-,77-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97-,103-,104-,105-,106-,107+,108+,109+,110+;/m0./s1

IUPAC

(2-((S)-2-((S)-2-((2S,3S)-2-((S)-2-((1S,4S,7S,8S,11R,14S,17R,20S)-7-((S)-6-amino-2-((S)-2-((S)-4-amino-2-((3R,9S,12S,15S,21S,22S)-21-((S)-6-amino-2-((6R,9S,10S,15aS)-10-((3R,6S,12S,15S)-15-((Z)-2-((2S,3S)-2-amino-3-methylpentanamido)but-2-enamido)-12-((S)-sec-butyl)-6-isobutyl-9-methylene-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetraazacyclohexadecane-3-carboxamido)-9-methyl-1,4,11-trioxododecahydro-1H,9H-pyrrolo[2,1-i][1]thia[4,7,10]triazacyclotridecine-6-carboxamido)hexanamido)-12-isobutyl-15,22-dimethyl-9-(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexaazacyclodocosane-3-carboxamido)-4-oxobutanamido)-4-(methylthio)butanamido)hexanamido)-14-(2-amino-2-oxoethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentaazabicyclo[9.9.2]docosane-17-carboxamido)-3-hydroxypropanamido)-3-methylpentanamido)-3-(1H-imidazol-5-yl)propanamido)-3-methylbutanamido)acryloyl)-L-lysine hydrochloride

Alternate CAS Number

Free Base: 137061-46-2

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat