2-{2-[(1-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanamido]propanoyl}pyrrolidin-2-yl)formamido]-4-carbamoylbutanamido}-3-hydroxybutanoic acid

• ChemBase ID: 105598
• Molecular Formular: C51H83N19O19
• Molecular Mass: 1266.32062
• Monoisotopic Mass: 1265.61126153
• SMILES: CC(O)C(NC(=O)C(CCC(=O)N)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CO)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)CN)C(=O)O
• Canonical SMILES: NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(C(=O)O)C(O)C)CCC(=O)N)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO)CO)Cc1ccc(cc1)O
• InChI: InChI=1S/C51H83N19O19/c1-24(48(87)70-17-5-8-35(70)47(86)66-30(13-14-36(53)76)43(82)69-39(25(2)74)49(88)89)61-41(80)28(6-3-15-58-50(54)55)64-42(81)29(7-4-16-59-51(56)57)65-45(84)33(22-72)68-46(85)34(23-73)67-44(83)32(21-71)63-38(78)20-60-40(79)31(62-37(77)19-52)18-26-9-11-27(75)12-10-26/h9-12,24-25,28-35,39,71-75H,3-8,13-23,52H2,1-2H3,(H2,53,76)(H,60,79)(H,61,80)(H,62,77)(H,63,78)(H,64,81)(H,65,84)(H,66,86)(H,67,83)(H,68,85)(H,69,82)(H,88,89)(H4,54,55,58)(H4,56,57,59)
• InChIKey: CTELNAIKTHTMNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[(1-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanamido]propanoyl}pyrrolidin-2-yl)formamido]-4-carbamoylbutanamido}-3-hydroxybutanoic acid
• IUPAC Traditional name: 2-{2-[(1-{2-[2-(2-{2-[2-(2-{2-[2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido)-3-hydroxypropanamido]-3-hydroxypropanamido}-5-carbamimidamidopentanamido)-5-carbamimidamidopentanamido]propanoyl}pyrrolidin-2-yl)formamido]-4-carbamoylbutanamido}-3-hydroxybutanoic acid
• Synonyms: IGF-I Frag. 30-41; IGF-I C-Peptide; INSULIN-LIKE GROWTH FACTOR I, FRAGMENT 30-41

Database IDs

• PubChem SID: 162105882
• PubChem CID: 23026310

CALCULATED PROPERTIES

• Acid pKa: 3.144232
• H Acceptors: 26
• H Donor: 24
• LogD (pH = 5.5): -19.066803
• LogD (pH = 7.4): -17.373388
• Log P: -16.557587
• Molar Refractivity: 326.1277 cm^3
• Polarizability: 118.90442 Å^3
• Polar Surface Area: 642.67 Å^2
• Rotatable Bonds: 39
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02191469

Human, Synthetic
H-Gly-Tyr-Gly-Ser-Ser-Ser-Arg-Arg-Ala-Pro-Gln-Thr-OH
This peptide corresponds to the C-peptide region of IGF-I and may be used to generate antibodies reactive against that region.

REFERENCES

• Hintz, R.L., et al., J. Clin. Endocrinol. Metab. , 50 : 405, (1980).