2-(2-{2-[2-(2-{2-[6-amino-2-(5-carbamimidamido-2-tetradecanamidopentanamido)hexanamido]-5-carbamimidamidopentanamido}-3-hydroxybutanamido)-4-methylpentanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido)-4-methylpentanoic acid

• ChemBase ID: 106004
• Molecular Formular: C60H117N21O11
• Molecular Mass: 1308.70508
• Monoisotopic Mass: 1307.92414367
• SMILES: CCCCCCCCCCCCCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)C(O)C)CCCNC(=N)N)NC(=O)C(NC(=O)CCCCCCCCCCCCC)CCCNC(=N)N
• InChI: InChI=1S/C60H117N21O11/c1-7-8-9-10-11-12-13-14-15-16-17-29-47(83)74-40(25-20-31-70-57(62)63)49(84)75-41(24-18-19-30-61)50(85)77-44(28-23-34-73-60(68)69)53(88)81-48(39(6)82)55(90)79-45(35-37(2)3)54(89)78-42(26-21-32-71-58(64)65)51(86)76-43(27-22-33-72-59(66)67)52(87)80-46(56(91)92)36-38(4)5/h37-46,48,82H,7-36,61H2,1-6H3,(H,74,83)(H,75,84)(H,76,86)(H,77,85)(H,78,89)(H,79,90)(H,80,87)(H,81,88)(H,91,92)(H4,62,63,70)(H4,64,65,71)(H4,66,67,72)(H4,68,69,73)
• InChIKey: ACOMZWCCEWXWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{2-[2-(2-{2-[6-amino-2-(5-carbamimidamido-2-tetradecanamidopentanamido)hexanamido]-5-carbamimidamidopentanamido}-3-hydroxybutanamido)-4-methylpentanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido)-4-methylpentanoic acid
• IUPAC Traditional name: 2-(2-{2-[2-(2-{2-[6-amino-2-(5-carbamimidamido-2-tetradecanamidopentanamido)hexanamido]-5-carbamimidamidopentanamido}-3-hydroxybutanamido)-4-methylpentanamido]-5-carbamimidamidopentanamido}-5-carbamimidamidopentanamido)-4-methylpentanoic acid
• Synonyms: Protein Kinase Inhibitor; EPIDERMAL GROWTH FACTOR RECEPTOR, FRAGMENT 651-658

Database IDs

• PubChem SID: 162105368
• PubChem CID: 21155482

CALCULATED PROPERTIES

• Acid pKa: -1.3158584
• H Acceptors: 24
• H Donor: 23
• LogD (pH = 5.5): -12.738937
• LogD (pH = 7.4): -12.301097
• Log P: -3.0756776
• Molar Refractivity: 390.5859 cm^3
• Polarizability: 135.78645 Å^3
• Polar Surface Area: 563.95 Å^2
• Rotatable Bonds: 53
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: ≥97%

DETAILS

MP Biomedicals - 02195836

N-Myr-Arg-Lys-Arg-Thr-Leu-Arg-Arg-Leu
Purity: >97%
Myristoylated
Conserved sequence of EGF-R that is identical to v-erb -B (95-102). The N-terminal myristoylation allows membrane permeability and inhibits protein kinase C in intact cells.