(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxybutanoyl]Amino]-4-Methylpentanoyl]Amino]-4-Amino-4-Oxobutanoyl]Amino]-3-Phenylpropanoic Acid
[CAS# 137372-00-0]

Identification

• Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxybutanoyl]Amino]-4-Methylpentanoyl]Amino]-4-Amino-4-Oxobutanoyl]Amino]-3-Phenylpropanoic Acid
• Synonyms: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxy-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Amino-4-Oxo-Butanoyl]Amino]-3-Phenyl-Propanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxy-1-Oxobutyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-4-Amino-1,4-Dioxobutyl]Amino]-3-Phenylpropanoic Acid; (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-Acetamido-3-Hydroxy-Butanoyl]Amino]-4-Methyl-Pentanoyl]Amino]-4-Amino-4-Keto-Butanoyl]Amino]-3-Phenyl-Propionic Acid
• Molecular Formula: C₂₅H₃₇N₅O₈
• Molecular Weight: 535.60
• CAS Registry Number: 137372-00-0
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC(=O)C)[C@@H](C)O)=O)CC(C)C)=O)CC(=O)N)=O)CC1=CC=CC=C1
• InChI: 1S/C25H37N5O8/c1-13(2)10-17(29-24(36)21(14(3)31)27-15(4)32)22(34)28-18(12-20(26)33)23(35)30-19(25(37)38)11-16-8-6-5-7-9-16/h5-9,13-14,17-19,21,31H,10-12H2,1-4H3,(H2,26,33)(H,27,32)(H,28,34)(H,29,36)(H,30,35)(H,37,38)/t14-,17+,18+,19+,21+/m1/s1
• InChIKey: COBFYEGBXADZJP-WMJIZHEVSA-N

Properties

• Density: 1.27g/cm³ (Cal.)
• Boiling point: 1001.32°C at 760 mmHg (Cal.)
• Flash point: 559.378°C (Cal.)