Nom de l'analyte

Nisin A (Technical grade)

Numéro CAS

1414-45-5

Formule moléculaire

C143H230N42O37S7

Poids moléculaire

3354.07

Masse précise

3351.5452

SMILES

CCC(C)C(N)C(=O)NC(=CC)C(=O)NC1CSCC(NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC1=O)C(C)CC)C(=O)NC2C(C)SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)N[C@H](CCCCN)C(=O)NC4C(C)SCC(NC(=O)CNC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC4=O)C(=O)NC(CC(=O)N)C(=O)N[C@H](CCSC)C(=O)N[C@H](CCCCN)C(=O)NC5C(C)SCC6NC(=O)C(NC(=O)C(C)NC5=O)C(C)SCC(NC(=O)C(Cc7cnc[nH]7)NC6=O)C(=O)N[C@H](CO)C(=O)N[C@H](C(C)CC)C(=O)N[C@@H](Cc8cnc[nH]8)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O

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)/t69?,70?,71?,72?,75?,76?,77?,78?,79?,83-,84-,85?,86-,87?,88?,89?,90?,91+,92?,93-,94?,95?,96?,97?,98?,99?,100?,105?,106?,107?,108-,109?,110?,111?,112?/m1/s1

IUPAC

6-amino-2-[2-[[2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[17-[[(2R)-6-amino-2-[[(2R)-2-[[4-amino-2-[[21-[[(2R)-6-amino-2-[[3-[[15-[2-[(2-amino-3-methylpentanoyl)amino]but-2-enoylamino]-12-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]-4-(1H-imidazol-5-ylmethyl)-10,14,18-trimethyl-2,5,13,16,22-pentaoxo-9,19-dithia-3,6,12,15,21-pentazabicyclo[9.9.2]docosane-7-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]prop-2-enoylamino]hexanoic acid

Température de stockage

-20°C

Température d'expédition

Room Temperature

Pays d'origine

CANADA

Présentation du produit

Neat