13,14-Psi-14-leu-bombesin
[CAS# 115136-07-7]

Identification

• Name: 13,14-Psi-14-leu-bombesin
• Synonyms: Bombesin, 13-De-L-Leucine-14-(N2-(2-Amino-4-Methylpentyl)-L-Leucinamide)-; Bombesin, Leu(13)-Psi-Ch2nh-Leu(14)-; Bombesin, Leucyl(13)-Psi-Ch2nh-Leucine(14)-
• Molecular Formula: C₇₂H₁₁₄N₂₄O₁₇
• Molecular Weight: 1587.84
• CAS Registry Number: 115136-07-7 (123809-85-8)
• SMILES: [C@H]1(CCC(N1)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCNC(N)=N)C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@@H](CC2=C[NH]C3=C2C=CC=C3)C(=O)N[C@@H](C)C(N[C@H](C(NCC(N[C@@H](CC4=CN=C[NH]4)C(NC(CC(C)C)CN[C@@H](CC(C)C)C(N)=O)=O)=O)=O)C(C)C)=O)=O)CCC(N)=O)=O)CC(N)=O)=O)=O)CC(C)C)=O)=O)=O
• InChI: 1S/C72H114N24O17/c1-35(2)23-42(31-82-49(61(76)103)24-36(3)4)87-69(111)52(27-41-30-79-34-85-41)89-59(102)33-84-71(113)60(38(7)8)96-62(104)39(9)86-68(110)51(26-40-29-81-44-14-11-10-13-43(40)44)95-67(109)48(17-20-55(74)98)93-70(112)53(28-56(75)99)90-58(101)32-83-63(105)50(25-37(5)6)94-64(106)45(15-12-22-80-72(77)78)91-66(108)47(16-19-54(73)97)92-65(107)46-18-21-57(100)88-46/h10-11,13-14,29-30,34-39,42,45-53,60,81-82H,12,15-28,31-33H2,1-9H3,(H2,73,97)(H2,74,98)(H2,75,99)(H2,76,103)(H,79,85)(H,83,105)(H,84,113)(H,86,110)(H,87,111)(H,88,100)(H,89,102)(H,90,101)(H,91,108)(H,92,107)(H,93,112)(H,94,106)(H,95,109)(H,96,104)(H4,77,78,80)/t39-,42?,45-,46-,47-,48-,49-,50-,51-,52-,53-,60-/m0/s1
• InChIKey: KXKRXZCGTAPUDX-MSGQSUMNSA-N

Properties

• Density: 1.46g/cm³ (Cal.)