Amogastrin
[CAS# 16870-37-4]

Identification

• Name: Amogastrin
• Synonyms: (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-(1,1-Dimethylpropoxycarbonylamino)-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-Methylsulfanyl-Butanoyl]Amino]-4-Oxo-Butanoic Acid; (3S)-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-[(1,1-Dimethylpropoxy-Oxomethyl)Amino]-3-(1H-Indol-3-Yl)-1-Oxopropyl]Amino]-4-(Methylthio)-1-Oxobutyl]Amino]-4-Oxobutanoic Acid; (3S)-4-[[(1S)-2-Amino-1-(Benzyl)-2-Keto-Ethyl]Amino]-3-[[(2S)-2-[[(2S)-2-(Tert-Amyloxycarbonylamino)-3-(1H-Indol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₅H₄₆N₆O₈S
• Molecular Weight: 710.84
• CAS Registry Number: 16870-37-4
• SMILES: [C@H](NC(OC(CC)(C)C)=O)(CC1=C[NH]C2=C1C=CC=C2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)CC(=O)O)CCSC
• InChI: 1S/C35H46N6O8S/c1-5-35(2,3)49-34(48)41-27(18-22-20-37-24-14-10-9-13-23(22)24)32(46)38-25(15-16-50-4)31(45)40-28(19-29(42)43)33(47)39-26(30(36)44)17-21-11-7-6-8-12-21/h6-14,20,25-28,37H,5,15-19H2,1-4H3,(H2,36,44)(H,38,46)(H,39,47)(H,40,45)(H,41,48)(H,42,43)/t25-,26-,27-,28-/m0/s1
• InChIKey: CAVZBWFUMSXZFB-LJWNLINESA-N

Properties

• Density: 1.292g/cm³ (Cal.)
• Boiling point: 1101.326°C at 760 mmHg (Cal.)
• Flash point: 619.86°C (Cal.)