(2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]-3-Methylpentanoyl]Amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Hexanamide
[CAS# 146163-06-6]

Identification

• Name: (2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-Hydroxypropanoyl]Amino]-3-Methylpentanoyl]Amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-Amino-3-Methyl-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Hexanamide
• Synonyms: (2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-1-Carbamoyl-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Hexanamide; (2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-Hydroxy-1-Oxopropyl]Amino]-3-Methyl-1-Oxopentyl]Amino]-N-[(1S)-1-[[[(1S)-2-[[(1S)-1-Carbamoyl-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Hexanamide; (2S)-6-Amino-2-[[(2S,3S)-2-[[(2S)-2-Amino-3-Hydroxy-Propanoyl]Amino]-3-Methyl-Pentanoyl]Amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-1-Carbamoyl-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamoyl]-2-Methyl-Propyl]Hexanamide
• Molecular Formula: C₂₈H₅₄N₈O₇
• Molecular Weight: 614.78
• CAS Registry Number: 146163-06-6
• SMILES: [C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)CO)=O)[C@@H](C)CC)=O)CCCCN)=O)C(C)C)=O)C)=O)(C(=O)N)C(C)C
• InChI: 1S/C28H54N8O7/c1-8-16(6)22(36-25(40)18(30)13-37)28(43)33-19(11-9-10-12-29)26(41)35-21(15(4)5)27(42)32-17(7)24(39)34-20(14(2)3)23(31)38/h14-22,37H,8-13,29-30H2,1-7H3,(H2,31,38)(H,32,42)(H,33,43)(H,34,39)(H,35,41)(H,36,40)/t16-,17-,18-,19-,20-,21-,22-/m0/s1
• InChIKey: PIRVHLUVWWMELB-CPDXTSBQSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 1025.244°C at 760 mmHg (Cal.)
• Flash point: 573.847°C (Cal.)