Gastrin Hexapeptide
[CAS# 20994-88-1]

Identification

• Name: Gastrin Hexapeptide
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-1-Oxoethyl]Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-Amino-3-(4-Hydroxyphenyl)Propanoyl]Amino]Acetyl]Amino]-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₄₀H₄₈N₈O₉S
• Molecular Weight: 816.93
• CAS Registry Number: 20994-88-1
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](N)CC1=CC=C(O)C=C1)=O)=O)CC2=C[NH]C3=CC=CC=C23)=O)CCSC)=O)CC(=O)O)=O)CC4=CC=CC=C4
• InChI: 1S/C40H48N8O9S/c1-58-16-15-30(38(55)48-33(20-35(51)52)40(57)47-31(36(42)53)18-23-7-3-2-4-8-23)46-39(56)32(19-25-21-43-29-10-6-5-9-27(25)29)45-34(50)22-44-37(54)28(41)17-24-11-13-26(49)14-12-24/h2-14,21,28,30-33,43,49H,15-20,22,41H2,1H3,(H2,42,53)(H,44,54)(H,45,50)(H,46,56)(H,47,57)(H,48,55)(H,51,52)/t28-,30-,31-,32-,33-/m0/s1
• InChIKey: VWZHQHYITNKMDA-FLIXOAOSSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 1335.473°C at 760 mmHg (Cal.)
• Flash point: 761.466°C (Cal.)