1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-arginine-4-de-L-leucine-7-L-histidine-12-D-phenylalanine-Bombesin
[CAS# 126370-72-7]

Identification

• Name: 1-de(5-oxo-L-proline)-2-de-L-glutamine-3-de-L-arginine-4-de-L-leucine-7-L-histidine-12-D-phenylalanine-Bombesin
• Synonyms: (2S)-2-[(2-Aminoacetyl)Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1R)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Butanediamide; (2S)-2-[(2-Amino-1-Oxoethyl)Amino]-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1R)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Butanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1R)-1-(Benzyl)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Keto-Ethyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Keto-Ethyl]-2-(Glycylamino)Succinamide
• Molecular Formula: C₅₃H₇₅N₁₅O₁₁S
• Molecular Weight: 1130.33
• CAS Registry Number: 126370-72-7
• SMILES: [C@H](C(N)=O)(NC([C@@H](NC([C@H](NC(CNC([C@@H](NC(=O)[C@@H](NC([C@H](CC1=C[NH]C2=C1C=CC=C2)NC([C@@H](NC(=O)[C@H](CC(=O)N)NC(CN)=O)CC3=CN=C[NH]3)=O)=O)C)C(C)C)=O)=O)CC4=CC=CC=C4)=O)CC(C)C)=O)CCSC
• InChI: 1S/C53H75N15O11S/c1-28(2)18-37(49(75)64-36(46(56)72)16-17-80-6)65-50(76)38(19-31-12-8-7-9-13-31)63-44(71)26-59-53(79)45(29(3)4)68-47(73)30(5)61-48(74)39(20-32-24-58-35-15-11-10-14-34(32)35)66-51(77)40(21-33-25-57-27-60-33)67-52(78)41(22-42(55)69)62-43(70)23-54/h7-15,24-25,27-30,36-41,45,58H,16-23,26,54H2,1-6H3,(H2,55,69)(H2,56,72)(H,57,60)(H,59,79)(H,61,74)(H,62,70)(H,63,71)(H,64,75)(H,65,76)(H,66,77)(H,67,78)(H,68,73)/t30-,36-,37-,38+,39-,40-,41-,45-/m0/s1
• InChIKey: JNZIZEWIJIVVBL-FSMNFDDFSA-N

Properties

• Density: 1.306g/cm³ (Cal.)
• Boiling point: 1654.09°C at 760 mmHg (Cal.)
• Flash point: 954.159°C (Cal.)