Bombesin Nonapeptide
[CAS# 55750-00-0]

Identification

• Name: Bombesin Nonapeptide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxo-Ethyl]-2-[[(2S)-2,4-Diamino-4-Oxo-Butanoyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[[2-[[(1S)-2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-1-(1H-Indol-3-Ylmethyl)-2-Oxoethyl]-2-[[(2S)-2,4-Diamino-1,4-Dioxobutyl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-1-[[2-[[(1S)-2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-1-(3H-Imidazol-4-Ylmethyl)-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]-2-[[(2S)-2,4-Diamino-4-Keto-Butanoyl]Amino]Glutaramide
• Molecular Formula: C₄₇H₇₁N₁₅O₁₁S
• Molecular Weight: 1054.23
• CAS Registry Number: 55750-00-0
• SMILES: [C@@H](CC(N)=O)(N)C(N[C@H](C(N[C@@H](CC1=C[NH]C2=C1C=CC=C2)C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CC3=CN=C[NH]3)C(N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC(C)C)=O)=O)=O)C(C)C)=O)C)=O)=O)CCC(N)=O)=O
• InChI: 1S/C47H71N15O11S/c1-23(2)15-33(45(71)58-31(40(51)66)13-14-74-6)60-46(72)35(17-27-20-52-22-55-27)57-38(65)21-54-47(73)39(24(3)4)62-41(67)25(5)56-44(70)34(16-26-19-53-30-10-8-7-9-28(26)30)61-43(69)32(11-12-36(49)63)59-42(68)29(48)18-37(50)64/h7-10,19-20,22-25,29,31-35,39,53H,11-18,21,48H2,1-6H3,(H2,49,63)(H2,50,64)(H2,51,66)(H,52,55)(H,54,73)(H,56,70)(H,57,65)(H,58,71)(H,59,68)(H,60,72)(H,61,69)(H,62,67)/t25-,29-,31-,32-,33-,34-,35-,39-/m0/s1
• InChIKey: XXFIWKDBCZWORZ-YQZUKWOLSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 1635.082°C at 760 mmHg (Cal.)
• Flash point: 942.664°C (Cal.)