N-Acetyl-L-Alanyl-L-Methionyl-L-Valyl-L-Seryl-L-alpha-Glutamyl-L-Phenylalanyl-L-Leucyl-L-Lysyl-L-Glutaminyl-L-Alanyl-L-Tryptophan
[CAS# 256447-08-2]

Identification

• Name: N-Acetyl-L-Alanyl-L-Methionyl-L-Valyl-L-Seryl-L-alpha-Glutamyl-L-Phenylalanyl-L-Leucyl-L-Lysyl-L-Glutaminyl-L-Alanyl-L-Tryptophan
• Synonyms: Ac2-12
• Molecular Formula: C₆₃H₉₄N₁₄O₁₇S
• Molecular Weight: 1351.57
• CAS Registry Number: 256447-08-2
• SMILES: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C
• InChI: 1S/C63H94N14O17S/c1-33(2)28-46(59(89)70-42(20-14-15-26-64)56(86)71-43(21-23-50(65)80)55(85)68-36(6)54(84)75-48(63(93)94)30-39-31-66-41-19-13-12-18-40(39)41)73-60(90)47(29-38-16-10-9-11-17-38)74-57(87)44(22-24-51(81)82)72-61(91)49(32-78)76-62(92)52(34(3)4)77-58(88)45(25-27-95-8)69-53(83)35(5)67-37(7)79/h9-13,16-19,31,33-36,42-49,52,66,78H,14-15,20-30,32,64H2,1-8H3,(H2,65,80)(H,67,79)(H,68,85)(H,69,83)(H,70,89)(H,71,86)(H,72,91)(H,73,90)(H,74,87)(H,75,84)(H,76,92)(H,77,88)(H,81,82)(H,93,94)/t35-,36-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1
• InChIKey: SUDAISORCUBKHK-RCVXMRHOSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1752.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 1013.7±34.3°C (Cal.)
• Refractive index: 1.582 (Cal.)
• solubility: Soluble to 1 mg/ml in 20% acetonitrile / water