• ChemBase ID: 133099
• Molecular Formular: C141H235N39O49
• Molecular Mass: 3260.6065
• Monoisotopic Mass: 3258.7095851
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N
• Canonical SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccccc1)[C@H](O)C)C)C)C)[C@H](CC)C)CO)C)CCC(=O)O)C(C)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CCC(=O)N)CC(=O)N)C)C)C)CCC(=O)N
• InChI: InChI=1S/C141H235N39O49/c1-31-66(18)107(137(224)158-70(22)115(202)155-69(21)114(201)156-72(24)119(206)176-108(74(26)182)129(216)151-55-94(193)160-85(49-79-37-33-32-34-38-79)125(212)174-106(65(16)17)141(228)229)175-127(214)87(57-181)161-95(194)54-148-113(200)67(19)153-93(192)53-149-121(208)82(43-47-98(198)199)165-132(219)102(61(8)9)173-140(227)112(78(30)186)177-123(210)81(39-35-36-48-142)164-122(209)83(41-44-88(144)187)162-116(203)71(23)157-131(218)101(60(6)7)168-118(205)73(25)159-138(225)110(76(28)184)179-133(220)100(59(4)5)167-96(195)56-152-130(217)109(75(27)183)178-136(223)105(64(14)15)172-134(221)103(62(10)11)169-117(204)68(20)154-92(191)52-147-91(190)51-150-128(215)99(58(2)3)170-126(213)86(50-90(146)189)166-139(226)111(77(29)185)180-135(222)104(63(12)13)171-124(211)84(42-45-89(145)188)163-120(207)80(143)40-46-97(196)197/h32-34,37-38,58-78,80-87,99-112,181-186H,31,35-36,39-57,142-143H2,1-30H3,(H2,144,187)(H2,145,188)(H2,146,189)(H,147,190)(H,148,200)(H,149,208)(H,150,215)(H,151,216)(H,152,217)(H,153,192)(H,154,191)(H,155,202)(H,156,201)(H,157,218)(H,158,224)(H,159,225)(H,160,193)(H,161,194)(H,162,203)(H,163,207)(H,164,209)(H,165,219)(H,166,226)(H,167,195)(H,168,205)(H,169,204)(H,170,213)(H,171,211)(H,172,221)(H,173,227)(H,174,212)(H,175,214)(H,176,206)(H,177,210)(H,178,223)(H,179,220)(H,180,222)(H,196,197)(H,198,199)(H,228,229)/t66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,80-,81-,82-,83-,84-,85-,86-,87-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-/m0/s1
• InChIKey: GXGKRPSFRUFLPR-PKXGUHEISA-N

NAMES AND DATABASE IDS

Names

• Synonyms: NAC; Amyloid Protein Non-Aβ Component

Database IDs

• CAS Number: 154040-19-4
• PubChem SID: 162227376
• PubChem CID: 71308637

CALCULATED PROPERTIES

• Acid pKa: 3.195584
• H Acceptors: 51
• H Donor: 48
• LogD (pH = 5.5): -26.819693
• LogD (pH = 7.4): -28.594788
• Log P: -25.786734
• Molar Refractivity: 795.1579 cm^3
• Polarizability: 313.64188 Å^3
• Polar Surface Area: 1403.99 Å^2
• Rotatable Bonds: 105
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... SNCA(6622)

Product Information

• Purity: ≥80% (HPLC)

DETAILS

Sigma Aldrich - A2835

Amino Acid Sequence
Glu-Gln-Val-Thr-Asn-Val-Gly-Gly-Ala-Val-Val-Thr-Gly-Val-Thr-Ala-Val-Ala-Gln-Lys-Thr-Val-Glu-Gly-Ala-Gly-Ser-Ile-Ala-Ala-Ala-Thr-Gly-Phe-Val
Other Notes
Fragment 61-95 of a 140-amino acid amyloid precursor known as NACP, or α-synuclein
Biochem/physiol Actions
Found in the insoluble core of amyloid plaque; forms fibrils via a nucleation-dependent polymerization mechanism