N(alpha)-Formyltetragastrin
[CAS# 66025-31-8]

Identification

• Name: N(alpha)-Formyltetragastrin
• Synonyms: (3S)-3-[[(2S)-2-[[(2S)-2-Amino-3-(1-Formylindol-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-Amino-3-(1-Formyl-3-Indolyl)-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-Amino-3-(1-Formylindol-3-Yl)Propanoyl]Amino]-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₃₀H₃₆N₆O₇S
• Molecular Weight: 624.71
• CAS Registry Number: 66025-31-8
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](NC([C@@H](N)CC1=C[N](C2=CC=CC=C12)C=O)=O)CCSC)=O)CC(=O)O)=O)CC3=CC=CC=C3
• InChI: 1S/C30H36N6O7S/c1-44-12-11-22(33-28(41)21(31)14-19-16-36(17-37)25-10-6-5-9-20(19)25)29(42)35-24(15-26(38)39)30(43)34-23(27(32)40)13-18-7-3-2-4-8-18/h2-10,16-17,21-24H,11-15,31H2,1H3,(H2,32,40)(H,33,41)(H,34,43)(H,35,42)(H,38,39)/t21-,22-,23-,24-/m0/s1
• InChIKey: DISFDUKFTWMOQB-ZJZGAYNASA-N

Properties

• Density: 1.413g/cm³ (Cal.)