(4S)-4-Amino-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1,3-Dihydroxy-1-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 142525-11-9]

Identification

• Name: (4S)-4-Amino-5-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1,3-Dihydroxy-1-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxopentan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1S)-1-[[[(1S)-1-[[[(1S,2S)-1-[[[(1S)-2-Hydroxy-1-(Hydroxymethyl)-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylbutyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1S)-1-[[(1S)-1-[[(1S,2S)-1-[[(1S)-2-Hydroxy-2-Keto-1-Methylol-Ethyl]Carbamoyl]-2-Methyl-Butyl]Carbamoyl]-2-Methyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₅H₄₅N₅O₉
• Molecular Weight: 559.66
• CAS Registry Number: 142525-11-9
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CCC(=O)O)=O)CC(C)C)=O)C(C)C)=O)[C@H](CC)C)=O)CO
• InChI: 1S/C25H45N5O9/c1-7-14(6)20(24(37)28-17(11-31)25(38)39)30-23(36)19(13(4)5)29-22(35)16(10-12(2)3)27-21(34)15(26)8-9-18(32)33/h12-17,19-20,31H,7-11,26H2,1-6H3,(H,27,34)(H,28,37)(H,29,35)(H,30,36)(H,32,33)(H,38,39)/t14-,15-,16-,17-,19-,20-/m0/s1
• InChIKey: MJWYCUZCRGLCBD-BGZMIMFDSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 943.218°C at 760 mmHg (Cal.)
• Flash point: 524.239°C (Cal.)