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Nisin Z

CAT: 0931-T76264-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T76264-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137061-46-2
Target
ERK, Antifungal, p38 MAPK, Antibacterial
Related Pathways
MAPK, Microbiology/Virology
Bioactivity
Nisin Z has anti-inflammatory activity and reduces pro-inflammatory cytokine release by inhibiting activation of the ERK1/2 and p38 mitogen-activated protein kinase (MAPK) signaling pathways, attenuating lipopolysaccharide-induced mastitis through inhibition of the ERK1/2 and p38 mitogen-activated protein kinase signaling pathways.
Smiles
O=C(NC(C(=O)O)CCCCN)C(=C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1NC(=O)C(NC(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C4NC(=O)CNC(=O)C5N(C(=O)C(NC(=O)C6NC(=O)C(NC(=O)C(=C)NC(=O)C(NC(=O)C(NC(=O)C(=CC)NC(=O)C(N)C(C)CC)CSC6)C(C)CC)CC(C)C)C(SC4)C)CCC5)CCCCN)C(SC3)C)C)CC(C)C)CCSC)CC(=O)N)CCSC)CCCCN)C(SC2)C)C)C(SC1)C)CC(=O)N)CO)C(C)CC)CC7=CN=CN7)C(C)C
Molecular Formula
C141H229N41O38S7
Molecular Weight
3331.03
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nisin Z

See also: Nisin Z (annotation moved to).

CAS Number137061-46-2
PubChem CID155489899
IUPAC Name(2S)-6-amino-2-[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(1S,4S,7S,8S,11R,14S,17R,20S)-7-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(3R,9S,12S,15S,21S,22S)-21-[[(2S)-6-amino-2-[[(3S,4S,7R,13S)-3-[[(3R,6S,12S,15S)-15-[[(Z)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]but-2-enoyl]amino]-12-[(2S)-butan-2-yl]-9-methylidene-6-(2-methylpropyl)-5,8,11,14-tetraoxo-1-thia-4,7,10,13-tetrazacyclohexadecane-3-carbonyl]amino]-4-methyl-2,9,12-trioxo-5-thia-1,8,11-triazabicyclo[11.3.0]hexadecane-7-carbonyl]amino]hexanoyl]amino]-15,22-dimethyl-12-(2-methylpropyl)-9-(2-methylsulfanylethyl)-5,8,11,14,17,20-hexaoxo-1-thia-4,7,10,13,16,19-hexazacyclodocosane-3-carbonyl]amino]-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-14-(2-amino-2-oxoethyl)-4,8,20-trimethyl-3,6,12,15,21-pentaoxo-9,19-dithia-2,5,13,16,22-pentazabicyclo[9.9.2]docosane-17-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]prop-2-enoylamino]hexanoic acid
Molecular FormulaC141H229N41O38S7
Molecular Weight3331.1
XLogP-7.3
Topological Polar Surface Area1410
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count50
Rotatable Bond Count67
Heavy Atom Count227
Formal Charge0
Complexity7810
SMILES
CC[C@H](C)[C@H]1C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@@H](CSC[C@H](C(=O)N1)NC(=O)/C(=C/C)/NC(=O)[C@H]([C@@H](C)CC)N)C(=O)N[C@@H]2[C@@H](SC[C@H](NC(=O)CNC(=O)[C@@H]3CCCN3C2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]4[C@@H](SC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]5[C@@H](SC[C@H]6C(=O)N[C@H](C(=O)N[C@@H](CS[C@H]([C@H](C(=O)N6)NC(=O)[C@@H](NC5=O)C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC7=CN=CN7)C(=O)N[C@@H](C(C)C)C(=O)NC(=C)C(=O)N[C@@H](CCCCN)C(=O)O)CC(=O)N)C)C)C)CC(C)C
InChI
InChI=1S/C141H229N41O38S7/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)/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
InChIKey
PWFSAVZKCGCNRK-RDLXCTAXSA-N
Chemical Structure
2D Structure
2D structure of Nisin Z
CAS: 137061-46-2
CID: 155489899
Formula: C141H229N41O38S7
MW: 3331.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight3331.1
XLogP3-7.3
Hydrogen Bond Donor Count41
Hydrogen Bond Acceptor Count50
Rotatable Bond Count67
Exact Mass3329.5325751
Monoisotopic Mass3328.5292202
Topological Polar Surface Area1410 Ų
Heavy Atom Count227
Formal Charge0
Complexity7810
Isotope Atom Count0
Defined Atom Stereocenter Count35
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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