3-L-Lysine-Bombesin
[CAS# 66839-66-5]

Identification

• Name: 3-L-Lysine-Bombesin
• Molecular Formula: C₇₁H₁₁₀N₂₂O₁₈S
• Molecular Weight: 1591.85
• CAS Registry Number: 66839-66-5
• SMILES: [C@@H]1(NC(=O)CC1)C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(NC(C(N[C@H](C(NCC(NC(C(NC(C(N[C@@H](CCSC)C(N)=O)=O)CC(C)C)=O)CC2=CN=C[NH]2)=O)=O)CCC)=O)C)=O)CC3=C[NH]C4=C3C=CC=C4)=O)CCC(N)=O)=O)CC(N)=O)=O)=O)CC(C)C)=O)CCCCN)=O)CCC(N)=O)=O
• InChI: 1S/C71H110N22O18S/c1-8-13-44(62(102)79-33-58(98)84-52(29-40-32-77-35-81-40)70(110)92-50(27-37(4)5)69(109)86-43(60(76)100)23-25-112-7)87-61(101)38(6)82-68(108)51(28-39-31-78-42-15-10-9-14-41(39)42)93-67(107)48(18-21-55(74)95)90-71(111)53(30-56(75)96)85-59(99)34-80-63(103)49(26-36(2)3)91-64(104)45(16-11-12-24-72)88-66(106)47(17-20-54(73)94)89-65(105)46-19-22-57(97)83-46/h9-10,14-15,31-32,35-38,43-53,78H,8,11-13,16-30,33-34,72H2,1-7H3,(H2,73,94)(H2,74,95)(H2,75,96)(H2,76,100)(H,77,81)(H,79,102)(H,80,103)(H,82,108)(H,83,97)(H,84,98)(H,85,99)(H,86,109)(H,87,101)(H,88,106)(H,89,105)(H,90,111)(H,91,104)(H,92,110)(H,93,107)/t38?,43-,44-,45-,46-,47-,48-,49-,50?,51-,52?,53-/m0/s1
• InChIKey: XHHJAQNNCQYTHG-INSYYHJMSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 2079.038°C at 760 mmHg (Cal.)
• Flash point: 1211.158°C (Cal.)