L-alpha-Aspartyl-L-Lysyl-L-Phenylalanyl-L-Valylglycyl-N-Methyl-L-Leucyl-L-Norleucinamide
[CAS# 137565-28-7]

Identification

• Name: L-alpha-Aspartyl-L-Lysyl-L-Phenylalanyl-L-Valylglycyl-N-Methyl-L-Leucyl-L-Norleucinamide
• Synonyms: [Lys5,MeLeu9,Nle10]-NKA(4-10)
• Molecular Formula: C₃₉H₆₄N₉O₉
• Molecular Weight: 803.99
• CAS Registry Number: 137565-28-7
• SMILES: CCCC[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)N
• InChI: 1S/C39H65N9O9/c1-7-8-16-27(34(42)52)44-38(56)30(19-23(2)3)48(6)31(49)22-43-39(57)33(24(4)5)47-37(55)29(20-25-14-10-9-11-15-25)46-36(54)28(17-12-13-18-40)45-35(53)26(41)21-32(50)51/h9-11,14-15,23-24,26-30,33H,7-8,12-13,16-22,40-41H2,1-6H3,(H2,42,52)(H,43,57)(H,44,56)(H,45,53)(H,46,54)(H,47,55)(H,50,51)/t26-,27-,28-,29-,30-,33-/m0/s1
• InChIKey: FIBMQAYBIOYAKI-HLYNNXGTSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 1149.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 648.8±34.3°C (Cal.)
• Refractive index: 1.545 (Cal.)
• solubility: Soluble to 1 mg/ml in water