(2S)-6-Amino-2-[[(2S)-2-[[2-[(4-Hydroxy-9,10-Dioxoanthracen-1-Yl)Amino]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoic Acid
[CAS# 132391-60-7]

Identification

• Name: (2S)-6-Amino-2-[[(2S)-2-[[2-[(4-Hydroxy-9,10-Dioxoanthracen-1-Yl)Amino]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoic Acid
• Synonyms: (2S)-6-Amino-2-[[(2S)-2-[[2-[(4-Hydroxy-9,10-Dioxo-1-Anthryl)Amino]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[2-[(4-Hydroxy-9,10-Dioxo-1-Anthryl)Amino]-1-Oxoethyl]Amino]-3-(3H-Imidazol-4-Yl)-1-Oxopropyl]Amino]Hexanoic Acid; (2S)-6-Amino-2-[[(2S)-2-[[2-[(4-Hydroxy-9,10-Diketo-1-Anthryl)Amino]Acetyl]Amino]-3-(3H-Imidazol-4-Yl)Propanoyl]Amino]Hexanoic Acid
• Molecular Formula: C₂₈H₃₀N₆O₇
• Molecular Weight: 562.58
• CAS Registry Number: 132391-60-7
• SMILES: [C@H](NC(=O)[C@@H](NC(=O)CNC1=C3C(=C(O)C=C1)C(=O)C2=CC=CC=C2C3=O)CC4=CN=C[NH]4)(CCCCN)C(O)=O
• InChI: 1S/C28H30N6O7/c29-10-4-3-7-19(28(40)41)34-27(39)20(11-15-12-30-14-32-15)33-22(36)13-31-18-8-9-21(35)24-23(18)25(37)16-5-1-2-6-17(16)26(24)38/h1-2,5-6,8-9,12,14,19-20,31,35H,3-4,7,10-11,13,29H2,(H,30,32)(H,33,36)(H,34,39)(H,40,41)/t19-,20-/m0/s1
• InChIKey: OZOILYIDULXYNI-PMACEKPBSA-N

Properties

• Density: 1.46g/cm³ (Cal.)
• Boiling point: 1070.447°C at 760 mmHg (Cal.)
• Flash point: 601.185°C (Cal.)