D-phenylalanyl(6)-leucyl(13)-psi(methyleneamino)-phenylalanyl(14)-Bombesin (6-14)
[CAS# 123769-98-2]

Identification

• Name: D-phenylalanyl(6)-leucyl(13)-psi(methyleneamino)-phenylalanyl(14)-Bombesin (6-14)
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]Methyl]-3-Methyl-Butyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]Methyl]-3-Methylbutyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]-2-[[(2R)-2-Amino-1-Oxo-3-Phenylpropyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(2S)-2-[[(1S)-1-[[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]Methyl]-3-Methyl-Butyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]-2-[[(2R)-2-Amino-3-Phenyl-Propanoyl]Amino]Glutaramide
• Molecular Formula: C₅₆H₇₆N₁₄O₉
• Molecular Weight: 1089.30
• CAS Registry Number: 123769-98-2
• SMILES: [C@H](C(=O)NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](N)CC1=CC=CC=C1)=O)CCC(=O)N)=O)CC2=C[NH]C3=CC=CC=C23)=O)C)=O)C(C)C)=O)=O)(N[C@@H](CC(C)C)CN[C@H](C(=O)N)CC4=CC=CC=C4)CC5=CN=C[NH]5
• InChI: 1S/C56H76N14O9/c1-32(2)22-39(29-62-44(50(59)73)24-36-16-10-7-11-17-36)66-46(26-38-28-60-31-64-38)55(78)69-48(72)30-63-56(79)49(33(3)4)70-51(74)34(5)65-54(77)45(25-37-27-61-42-19-13-12-18-40(37)42)68-53(76)43(20-21-47(58)71)67-52(75)41(57)23-35-14-8-6-9-15-35/h6-19,27-28,31-34,39,41,43-46,49,61-62,66H,20-26,29-30,57H2,1-5H3,(H2,58,71)(H2,59,73)(H,60,64)(H,63,79)(H,65,77)(H,67,75)(H,68,76)(H,70,74)(H,69,72,78)/t34-,39-,41+,43-,44-,45-,46-,49-/m0/s1
• InChIKey: SDORTRZDJZBYPG-SAQNLQCKSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 1463.322°C at 760 mmHg (Cal.)
• Flash point: 838.787°C (Cal.)