Methionyl-Aspartyl-Phenylalaninamide
[CAS# 5934-92-9]

Identification

• Name: Methionyl-Aspartyl-Phenylalaninamide
• Synonyms: (3S)-3-[[(2S)-2-Amino-4-Methylsulfanyl-Butanoyl]Amino]-4-[[(1S)-2-Amino-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-4-Oxo-Butanoic Acid; (3S)-3-[[(2S)-2-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-Amino-4-(Methylthio)Butanoyl]Amino]-4-Keto-Butyric Acid
• Molecular Formula: C₁₈H₂₆N₄O₅S
• Molecular Weight: 410.49
• CAS Registry Number: 5934-92-9
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC([C@@H](N)CCSC)=O)CC(=O)O)=O)CC1=CC=CC=C1
• InChI: 1S/C18H26N4O5S/c1-28-8-7-12(19)17(26)22-14(10-15(23)24)18(27)21-13(16(20)25)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,25)(H,21,27)(H,22,26)(H,23,24)/t12-,13-,14-/m0/s1
• InChIKey: SIWKJSQISPNWDG-IHRRRGAJSA-N

Properties

• Density: 1.31g/cm³ (Cal.)
• Boiling point: 821.242°C at 760 mmHg (Cal.)
• Flash point: 450.471°C (Cal.)