• ChemBase ID: 105288
• Molecular Formular: C68H122N20O18
• Molecular Mass: 1507.81948
• Monoisotopic Mass: 1506.92459716
• SMILES: CC(C)CC(NC(=O)C1CCCN1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O
• Canonical SMILES: NCCCCC(C(=O)NC(C(=O)O)CCCCN)NC(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1)CC(C)C)C)CCCNC(=N)N)CC(C)C)CO)C)CC(C)C
• InChI: InChI=1S/C68H122N20O18/c1-35(2)29-46(83-57(95)42-21-16-26-73-42)60(98)77-40(10)56(94)81-44(22-17-27-74-68(71)72)59(97)87-54(41(11)90)65(103)84-47(30-36(3)4)61(99)85-49(34-89)62(100)86-53(38(7)8)64(102)78-39(9)55(93)75-32-52(92)80-48(31-37(5)6)66(104)88-28-18-23-50(88)63(101)76-33-51(91)79-43(19-12-14-24-69)58(96)82-45(67(105)106)20-13-15-25-70/h35-50,53-54,73,89-90H,12-34,69-70H2,1-11H3,(H,75,93)(H,76,101)(H,77,98)(H,78,102)(H,79,91)(H,80,92)(H,81,94)(H,82,96)(H,83,95)(H,84,103)(H,85,99)(H,86,100)(H,87,97)(H,105,106)(H4,71,72,74)
• InChIKey: NKBRRWBNPNUBDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Calmodulin-Dependent Protein Kinase Substrate; SYNTIDE 2

Database IDs

• PubChem SID: 162105873
• PubChem CID: 5074902

CALCULATED PROPERTIES

• Acid pKa: 3.643121
• H Acceptors: 24
• H Donor: 22
• LogD (pH = 5.5): -17.545628
• LogD (pH = 7.4): -15.604581
• Log P: -8.575389
• Molar Refractivity: 394.502 cm^3
• Polarizability: 151.21635 Å^3
• Polar Surface Area: 602.34 Å^2
• Rotatable Bonds: 49
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

DETAILS

MP Biomedicals - 02159666

Pro-Leu-Ala-Arg-Thr-Leu-Ser-Val-Ala-Gly-Leu-Pro-Gly-Lys-Lys
A selective substrate for calmodulin-dependent protein kinase II.